CAS 4887-80-3 | 5-Methoxy-1H-benzo[d]imidazole | CAS Number 4887-80-3

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4887-80-3 | 5-Methoxy-1H-benzo[d]imidazole

CAS No: 4887-80-3 Catalog No: AG0034AK MDL No:MFCD00272526

Product Description

Catalog Number:

AG0034AK

Chemical Name:

5-Methoxy-1H-benzo[d]imidazole

CAS Number:

4887-80-3

Molecular Formula:

C8H8N2O

Molecular Weight:

148.1619

MDL Number:

MFCD00272526

IUPAC Name:

6-methoxy-1H-benzimidazole

InChI:

InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)

InChI Key:

ILMHAGCURJPNRZ-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)[nH]cn2

EC Number:

225-502-9

Properties

Complexity:

140

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.165g/mol

Monoisotopic Mass:

148.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Anaerobic biosynthesis of the lower ligand of vitamin B12.	Proceedings of the National Academy of Sciences of the United States of America 20150825
Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.	The Journal of biological chemistry 20011005
Bisbenzimidazoles. Potent inhibitors of rhinoviruses.	Journal of medicinal chemistry 19720601