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

C15H15N3 — CID 867570

IUPAC1-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H15N3/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(18)16/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyHUXAXCIUQJSPOG-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.98
Rot. Bonds2

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

1-[(4-methylphenyl)methyl]benzimidazol-2-amine (PubChem CID 867570) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]benzimidazol-2-amine
PubChem CID867570
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H15N3/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(18)16/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyHUXAXCIUQJSPOG-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(4-methylphenyl)methyl]benzimidazol-2-amine (CID 867570) is 1-[(4-methylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]benzimidazol-2-amine is Cc1ccc(Cn2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is HUXAXCIUQJSPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(18)16/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
1-[(4-methylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 237.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 867570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).