N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine

C15H14ClN3 — CID 745860

IUPACN-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H14ClN3/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3
InChIKeyLAVCBAWFHPXCPY-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.84
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine

N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine (PubChem CID 745860) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine
PubChem CID745860
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H14ClN3/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3
InChIKeyLAVCBAWFHPXCPY-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine (CID 745860) is N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine is Cn1cnc2cc(NCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine?
The InChIKey is LAVCBAWFHPXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine?
N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 745860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).