4-Methylbenzimidazole - CAS 4887-83-6

Catalog:	BB026609
Product Name:	4-Methylbenzimidazole
CAS:	4887-83-6
Synonyms:	4-methyl-1H-benzimidazole; 4-methyl-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1H-benzimidazole
Description:	4-Methylbenzimidazole (CAS# 4887-83-6) is a useful research chemical compound.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=C2C(=CC=C1)NC=N2
InChI:	InChI=1S/C8H8N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChI Key:	QCXGJTGMGJOYDP-UHFFFAOYSA-N
Boiling Point:	363.229 °C at 760 mmHg
Density:	1.187 g/cm³
MDL:	MFCD00272527
LogP:	1.87130

Publication Number	Title	Priority Date
WO-2021207085-A1	Synthetic elaboration of native dna by rass (sendr)	20200406
WO-2021202557-A1	Spherical nucleic acids (snas) for regulation of frataxin	20200330
WO-2021191830-A1	Methods and reagents for synthesizing nucleosides and analogues thereof	20200325
WO-2021183720-A1	Compositions and methods for modulating forkhead box p3 (foxp3) gene expression	20200311
US-2021299261-A1	Compositions and methods for targeted rna delivery	20200304

PMID	Publication Date	Title	Journal
17650502	20080523	Importance of hydrogen bonding for efficiency and specificity of the human mitochondrial DNA polymerase	The Journal of biological chemistry
18624291	20080101	Steric effects in RNA interference: probing the influence of nucleobase size and shape	Chemistry (Weinheim an der Bergstrasse, Germany)
14692765	20031231	Probing the requirements for recognition and catalysis in Fpg and MutY with nonpolar adenine isosteres	Journal of the American Chemical Society
11602569	20011207	The Phe-X-Glu DNA binding motif of MutS. The role of hydrogen bonding in mismatch recognition	The Journal of biological chemistry

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Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9