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

C26H23F2N3O — CID 46101317

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C26H23F2N3O/c1-18(7-8-19-5-3-2-4-6-19)30-26(32)25-16-29-17-31(25)22-12-9-20(10-13-22)21-11-14-23(27)24(28)15-21/h2-6,9-18H,7-8H2,1H3,(H,30,32)
InChIKeyHUVGSILVHHMHIS-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.57
Rot. Bonds7

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

3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 46101317) has the molecular formula C26H23F2N3O and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
PubChem CID46101317
Molecular FormulaC26H23F2N3O
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C26H23F2N3O/c1-18(7-8-19-5-3-2-4-6-19)30-26(32)25-16-29-17-31(25)22-12-9-20(10-13-22)21-11-14-23(27)24(28)15-21/h2-6,9-18H,7-8H2,1H3,(H,30,32)
InChIKeyHUVGSILVHHMHIS-UHFFFAOYSA-N
XLogP5.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide with MolForge

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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-heptan-4-ylimidazole-4-carboxamide
CID 46103182
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
CID 92768428
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92768819

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (CID 46101317) is 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is CC(CCc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is HUVGSILVHHMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O/c1-18(7-8-19-5-3-2-4-6-19)30-26(32)25-16-29-17-31(25)22-12-9-20(10-13-22)21-11-14-23(27)24(28)15-21/h2-6,9-18H,7-8H2,1H3,(H,30,32).
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 46101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).