1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine

C16H17N3 — CID 1090102

IUPAC1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3/c1-12-7-9-13(10-8-12)11-17-16-18-14-5-3-4-6-15(14)19(16)2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyYHZLFFQZHKKCMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine

1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine (PubChem CID 1090102) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine
PubChem CID1090102
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3/c1-12-7-9-13(10-8-12)11-17-16-18-14-5-3-4-6-15(14)19(16)2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyYHZLFFQZHKKCMG-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine (CID 1090102) is 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine is Cc1ccc(CNc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is YHZLFFQZHKKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-7-9-13(10-8-12)11-17-16-18-14-5-3-4-6-15(14)19(16)2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine?
1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 1090102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).