[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine

C16H17N3S — CID 104721477

IUPAC[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
SMILESCSc1ccc(-c2nc3c(CN)cccc3n2C)cc1
InChIInChI=1S/C16H17N3S/c1-19-14-5-3-4-12(10-17)15(14)18-16(19)11-6-8-13(20-2)9-7-11/h3-9H,10,17H2,1-2H3
InChIKeyZNCMYTYQSVOCSQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.42
Rot. Bonds3

About [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine

[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine (PubChem CID 104721477) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
PubChem CID104721477
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
SMILESCSc1ccc(-c2nc3c(CN)cccc3n2C)cc1
InChIInChI=1S/C16H17N3S/c1-19-14-5-3-4-12(10-17)15(14)18-16(19)11-6-8-13(20-2)9-7-11/h3-9H,10,17H2,1-2H3
InChIKeyZNCMYTYQSVOCSQ-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
[2-(3-chloro-5-methylphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721567
[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721523
2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
CID 60784916
[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721511
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[2-(5-bromo-2-chlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721545
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine (CID 104721477) is [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine is CSc1ccc(-c2nc3c(CN)cccc3n2C)cc1.
What is the InChIKey of [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine?
The InChIKey is ZNCMYTYQSVOCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19-14-5-3-4-12(10-17)15(14)18-16(19)11-6-8-13(20-2)9-7-11/h3-9H,10,17H2,1-2H3.
What are the key properties of [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine?
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).