1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

C24H21ClN2 — CID 510047

IUPAC1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C24H21ClN2/c25-23-12-8-20(9-13-23)17-24(27-15-14-26-18-27)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,24H,16-17H2
InChIKeyKAGDFMZYLNHWHB-UHFFFAOYSA-N
MW372.90 g/mol
LogP6.23
Rot. Bonds6

About 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (PubChem CID 510047) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
PubChem CID510047
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C24H21ClN2/c25-23-12-8-20(9-13-23)17-24(27-15-14-26-18-27)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,24H,16-17H2
InChIKeyKAGDFMZYLNHWHB-UHFFFAOYSA-N
XLogP6.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (CID 510047) is 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is Clc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The InChIKey is KAGDFMZYLNHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2/c25-23-12-8-20(9-13-23)17-24(27-15-14-26-18-27)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-15,18,24H,16-17H2.
What are the key properties of 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole has a molecular weight of 372.90 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is sourced from PubChem (CID 510047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).