1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole

C32H25ClN4O2 — CID 154000803

IUPAC1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole
SMILESCOc1ccc(-c2cnc(-c3ccccc3Cl)n2-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC
InChIInChI=1S/C32H25ClN4O2/c1-38-28-18-17-24(19-29(28)39-2)27-20-34-32(25-15-9-10-16-26(25)33)37(27)36-21-35-30(22-11-5-3-6-12-22)31(36)23-13-7-4-8-14-23/h3-21H,1-2H3
InChIKeyUTTWIIMGGLLUME-UHFFFAOYSA-N
MW533.03 g/mol
LogP7.73
Rot. Bonds7

About 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole

1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole (PubChem CID 154000803) has the molecular formula C32H25ClN4O2 and a molecular weight of 533.03 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole
PubChem CID154000803
Molecular FormulaC32H25ClN4O2
Molecular Weight533.03 g/mol
Exact Mass532.17
IUPAC Name1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole
SMILESCOc1ccc(-c2cnc(-c3ccccc3Cl)n2-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC
InChIInChI=1S/C32H25ClN4O2/c1-38-28-18-17-24(19-29(28)39-2)27-20-34-32(25-15-9-10-16-26(25)33)37(27)36-21-35-30(22-11-5-3-6-12-22)31(36)23-13-7-4-8-14-23/h3-21H,1-2H3
InChIKeyUTTWIIMGGLLUME-UHFFFAOYSA-N
XLogP7.73
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.03
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole (CID 154000803) is 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole is COc1ccc(-c2cnc(-c3ccccc3Cl)n2-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole?
The InChIKey is UTTWIIMGGLLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN4O2/c1-38-28-18-17-24(19-29(28)39-2)27-20-34-32(25-15-9-10-16-26(25)33)37(27)36-21-35-30(22-11-5-3-6-12-22)31(36)23-13-7-4-8-14-23/h3-21H,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole?
1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole has a molecular weight of 533.03 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 154000803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).