1H-Benzimidazole-2-carboxamide - CAS 5805-52-7

Catalog:	BB029916
Product Name:	1H-Benzimidazole-2-carboxamide
CAS:	5805-52-7
Synonyms:	1H-benzimidazole-2-carboxamide; 1H-benzimidazole-2-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	1H-benzimidazole-2-carboxamide
Description:	1H-Benzimidazole-2-carboxamide (CAS# 5805-52-7) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C(=O)N
InChI:	InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)
InChI Key:	XIZCDQOKKYYCRH-UHFFFAOYSA-N
Appearance:	White to brown solid
LogP:	1.36210

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2021055627-A1	Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments	20190917
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
WO-2021011693-A1	Sequencing of biopolymers by motion-controlled electron tunneling	20190715

PMID	Publication Date	Title	Journal
21585709	20110901	Molecular modeling studies on benzimidazole carboxamide derivatives as PARP-1 inhibitors using 3D-QSAR and docking	Chemical biology & drug design
21436403	20110701	Disposition and drug-drug interaction potential of veliparib (ABT-888), a novel and potent inhibitor of poly(ADP-ribose) polymerase	Drug metabolism and disposition: the biological fate of chemicals
21145626	20110101	Part I: Synthesis, cancer chemopreventive activity and molecular docking study of novel quinoxaline derivatives	European journal of medicinal chemistry
19143569	20090122	Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the treatment of cancer	Journal of medicinal chemistry
18541433	20080715	Discovery and SAR of 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide: A potent inhibitor of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer	Bioorganic & medicinal chemistry

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5