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

C21H18ClN3O — CID 1364864

IUPACN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C21H18ClN3O/c1-26-19-9-7-18(8-10-19)25-14-24-20-12-17(6-11-21(20)25)23-13-15-2-4-16(22)5-3-15/h2-12,14,23H,13H2,1H3
InChIKeyWZZXYDZGTLLJGD-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.30
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 1364864) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID1364864
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C21H18ClN3O/c1-26-19-9-7-18(8-10-19)25-14-24-20-12-17(6-11-21(20)25)23-13-15-2-4-16(22)5-3-15/h2-12,14,23H,13H2,1H3
InChIKeyWZZXYDZGTLLJGD-UHFFFAOYSA-N
XLogP5.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (CID 1364864) is N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is WZZXYDZGTLLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-26-19-9-7-18(8-10-19)25-14-24-20-12-17(6-11-21(20)25)23-13-15-2-4-16(22)5-3-15/h2-12,14,23H,13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 363.85 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 1364864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).