4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine

C21H16ClN3 — CID 5245478

IUPAC4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine
SMILESClc1ccc(-c2cn(Nc3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16ClN3/c22-18-13-11-16(12-14-18)20-15-25(24-19-9-5-2-6-10-19)21(23-20)17-7-3-1-4-8-17/h1-15,24H
InChIKeyGHWWVELSMWBRRS-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.75
Rot. Bonds4

About 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine

4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine (PubChem CID 5245478) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine
PubChem CID5245478
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine
SMILESClc1ccc(-c2cn(Nc3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16ClN3/c22-18-13-11-16(12-14-18)20-15-25(24-19-9-5-2-6-10-19)21(23-20)17-7-3-1-4-8-17/h1-15,24H
InChIKeyGHWWVELSMWBRRS-UHFFFAOYSA-N
XLogP5.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine (CID 5245478) is 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine is Clc1ccc(-c2cn(Nc3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine?
The InChIKey is GHWWVELSMWBRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-18-13-11-16(12-14-18)20-15-25(24-19-9-5-2-6-10-19)21(23-20)17-7-3-1-4-8-17/h1-15,24H.
What are the key properties of 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine?
4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine has a molecular weight of 345.83 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine is sourced from PubChem (CID 5245478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).