[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine

C16H17N3 — CID 11680394

IUPAC[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine
SMILESCc1ccccc1-c1ccc2ncn(C)c2c1CN
InChIInChI=1S/C16H17N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyVDNPJDSQQLDYDK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds2

About [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine

[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine (PubChem CID 11680394) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine
PubChem CID11680394
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine
SMILESCc1ccccc1-c1ccc2ncn(C)c2c1CN
InChIInChI=1S/C16H17N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyVDNPJDSQQLDYDK-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine?
The IUPAC name of [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine (CID 11680394) is [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine is Cc1ccccc1-c1ccc2ncn(C)c2c1CN.
What is the InChIKey of [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine?
The InChIKey is VDNPJDSQQLDYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,9,17H2,1-2H3.
What are the key properties of [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine?
[3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(2-methylphenyl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 11680394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).