2-(Hydroxymethyl)-4,5-dimethylbenzimidazole - CAS 915921-59-4

Catalog:	BB040255
Product Name:	2-(Hydroxymethyl)-4,5-dimethylbenzimidazole
CAS:	915921-59-4
Synonyms:	(4,5-dimethyl-1H-benzimidazol-2-yl)methanol; (4,5-dimethyl-1H-benzimidazol-2-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(4,5-dimethyl-1H-benzimidazol-2-yl)methanol
Description:	2-(Hydroxymethyl)-4,5-dimethylbenzimidazole (CAS# 915921-59-4) is a useful research chemical.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	CC1=C(C2=C(C=C1)NC(=N2)CO)C
InChI:	InChI=1S/C10H12N2O/c1-6-3-4-8-10(7(6)2)12-9(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
InChI Key:	DXIFJQQSMWQYTC-UHFFFAOYSA-N
Boiling Point:	428.9 °C at 760 mmHg
Density:	1.245 g/cm³
MDL:	MFCD08691516
LogP:	1.67200

Publication Number	Title	Priority Date
CN-110191882-A	Novel heterocyclic compounds, preparation method and the pharmaceutical composition comprising it	20170207
EP-3580208-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
JP-2020506197-A	Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same	20170207
KR-102084772-B1	Novel hetero-ring compound, its preparation method, and pharmaceutical composition comprising the same	20170207
TW-201831463-A	Novel heterocyclic compound, preparation method thereof and pharmaceutical composition containing the same	20170207

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4