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

C14H12ClN3 — CID 743900

IUPAC1-[(4-chlorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeyHKBJSDNECZUKSR-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.32
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]benzimidazol-2-amine (PubChem CID 743900) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]benzimidazol-2-amine
PubChem CID743900
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name1-[(4-chlorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeyHKBJSDNECZUKSR-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine (CID 743900) is 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine is Nc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is HKBJSDNECZUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17).
What are the key properties of 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine?
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 743900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).