3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide

C26H24ClN3O — CID 46102836

IUPAC3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C26H24ClN3O/c1-19(13-14-20-7-3-2-4-8-20)29-26(31)25-17-28-18-30(25)24-12-6-10-22(16-24)21-9-5-11-23(27)15-21/h2-12,15-19H,13-14H2,1H3,(H,29,31)
InChIKeyYGRGCXNJQSPLSU-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.94
Rot. Bonds7

About 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide

3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 46102836) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
PubChem CID46102836
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C26H24ClN3O/c1-19(13-14-20-7-3-2-4-8-20)29-26(31)25-17-28-18-30(25)24-12-6-10-22(16-24)21-9-5-11-23(27)15-21/h2-12,15-19H,13-14H2,1H3,(H,29,31)
InChIKeyYGRGCXNJQSPLSU-UHFFFAOYSA-N
XLogP5.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
CID 92867750
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (CID 46102836) is 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is CC(CCc1ccccc1)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is YGRGCXNJQSPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-19(13-14-20-7-3-2-4-8-20)29-26(31)25-17-28-18-30(25)24-12-6-10-22(16-24)21-9-5-11-23(27)15-21/h2-12,15-19H,13-14H2,1H3,(H,29,31).
What are the key properties of 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 46102836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).