4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine

C22H20ClN3 — CID 89184904

IUPAC4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(Cl)cc3n2C)c2ccccc12
InChIInChI=1S/C22H20ClN3/c1-25(2)20-12-8-15(17-6-4-5-7-18(17)20)9-13-22-24-19-11-10-16(23)14-21(19)26(22)3/h4-14H,1-3H3/b13-9+
InChIKeyWAAHRBKKIFJLQK-UKTHLTGXSA-N
MW361.88 g/mol
LogP5.62
Rot. Bonds3

About 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine

4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 89184904) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID89184904
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(Cl)cc3n2C)c2ccccc12
InChIInChI=1S/C22H20ClN3/c1-25(2)20-12-8-15(17-6-4-5-7-18(17)20)9-13-22-24-19-11-10-16(23)14-21(19)26(22)3/h4-14H,1-3H3/b13-9+
InChIKeyWAAHRBKKIFJLQK-UKTHLTGXSA-N
XLogP5.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine (CID 89184904) is 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine is CN(C)c1ccc(/C=C/c2nc3ccc(Cl)cc3n2C)c2ccccc12.
What is the InChIKey of 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is WAAHRBKKIFJLQK-UKTHLTGXSA-N. The full InChI is InChI=1S/C22H20ClN3/c1-25(2)20-12-8-15(17-6-4-5-7-18(17)20)9-13-22-24-19-11-10-16(23)14-21(19)26(22)3/h4-14H,1-3H3/b13-9+.
What are the key properties of 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 361.88 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 89184904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).