6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine

C15H15N3OS — CID 107645401

IUPAC6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(-c3ccccc3SC)c2c1
InChIInChI=1S/C15H15N3OS/c1-19-10-7-8-11-13(9-10)18(15(16)17-11)12-5-3-4-6-14(12)20-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyMSAXXRMRCIVBGZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.34
Rot. Bonds3

About 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine

6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine (PubChem CID 107645401) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
PubChem CID107645401
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(-c3ccccc3SC)c2c1
InChIInChI=1S/C15H15N3OS/c1-19-10-7-8-11-13(9-10)18(15(16)17-11)12-5-3-4-6-14(12)20-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyMSAXXRMRCIVBGZ-UHFFFAOYSA-N
XLogP3.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645396
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine (CID 107645401) is 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine is COc1ccc2nc(N)n(-c3ccccc3SC)c2c1.
What is the InChIKey of 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
The InChIKey is MSAXXRMRCIVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-10-7-8-11-13(9-10)18(15(16)17-11)12-5-3-4-6-14(12)20-2/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine?
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 107645401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).