1-methyl-3-oxido-2H-benzimidazole

C8H9N2O- — CID 173249614

IUPAC1-methyl-3-oxido-2H-benzimidazole
SMILESCN1CN([O-])c2ccccc21
InChIInChI=1S/C8H9N2O/c1-9-6-10(11)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3/q-1
InChIKeyJWJHCIHLHJJMEQ-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.40
Rot. Bonds

About 1-methyl-3-oxido-2H-benzimidazole

1-methyl-3-oxido-2H-benzimidazole (PubChem CID 173249614) has the molecular formula C8H9N2O- and a molecular weight of 149.17 g/mol. Its IUPAC name is 1-methyl-3-oxido-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-oxido-2H-benzimidazole
PubChem CID173249614
Molecular FormulaC8H9N2O-
Molecular Weight149.17 g/mol
Exact Mass149.07
IUPAC Name1-methyl-3-oxido-2H-benzimidazole
SMILESCN1CN([O-])c2ccccc21
InChIInChI=1S/C8H9N2O/c1-9-6-10(11)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3/q-1
InChIKeyJWJHCIHLHJJMEQ-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
CID 71350000
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
CID 173351817
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole
CID 59582452
amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium
CID 170240183
acetic acid;1-methyl-3-prop-1-enyl-2H-benzimidazole
CID 175103516
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
CID 173113975
1-methyl-3-[[3-[3-[(3-methyl-2H-benzimidazol-1-yl)-diphenylmethyl]phenoxy]phenyl]-diphenylmethyl]-2H-benzimidazole
CID 162281143
2-[3-(2-cyanophenyl)-2H-imidazol-1-yl]benzonitrile
CID 123145775
1-methyl-2H-quinoline;hydrate;dihydroiodide
CID 174675157

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxido-2H-benzimidazole?
The IUPAC name of 1-methyl-3-oxido-2H-benzimidazole (CID 173249614) is 1-methyl-3-oxido-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-oxido-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-oxido-2H-benzimidazole is CN1CN([O-])c2ccccc21.
What is the InChIKey of 1-methyl-3-oxido-2H-benzimidazole?
The InChIKey is JWJHCIHLHJJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O/c1-9-6-10(11)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3/q-1.
What are the key properties of 1-methyl-3-oxido-2H-benzimidazole?
1-methyl-3-oxido-2H-benzimidazole has a molecular weight of 149.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxido-2H-benzimidazole is sourced from PubChem (CID 173249614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).