6-methoxy-N-methyl-1H-benzimidazol-2-amine

C9H11N3O — CID 82562601

IUPAC6-methoxy-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C9H11N3O/c1-10-9-11-7-4-3-6(13-2)5-8(7)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyVIUYXXZFJICSNV-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.61
Rot. Bonds2

About 6-methoxy-N-methyl-1H-benzimidazol-2-amine

6-methoxy-N-methyl-1H-benzimidazol-2-amine (PubChem CID 82562601) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-methoxy-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-1H-benzimidazol-2-amine
PubChem CID82562601
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-methoxy-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C9H11N3O/c1-10-9-11-7-4-3-6(13-2)5-8(7)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyVIUYXXZFJICSNV-UHFFFAOYSA-N
XLogP1.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
6-methoxy-2-nitro-1H-benzimidazole
CID 24860
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-methyl-1H-benzimidazol-2-amine (CID 82562601) is 6-methoxy-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-methyl-1H-benzimidazol-2-amine is CNc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 6-methoxy-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is VIUYXXZFJICSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-10-9-11-7-4-3-6(13-2)5-8(7)12-9/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 6-methoxy-N-methyl-1H-benzimidazol-2-amine?
6-methoxy-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 177.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).