3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide

C23H25F2N3O — CID 46103182

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
SMILESCCCC(CCC)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H25F2N3O/c1-3-5-18(6-4-2)27-23(29)22-14-26-15-28(22)19-10-7-16(8-11-19)17-9-12-20(24)21(25)13-17/h7-15,18H,3-6H2,1-2H3,(H,27,29)
InChIKeyXXUPDKXJXFTTTJ-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.52
Rot. Bonds8

About 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide

3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide (PubChem CID 46103182) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
PubChem CID46103182
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
SMILESCCCC(CCC)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H25F2N3O/c1-3-5-18(6-4-2)27-23(29)22-14-26-15-28(22)19-10-7-16(8-11-19)17-9-12-20(24)21(25)13-17/h7-15,18H,3-6H2,1-2H3,(H,27,29)
InChIKeyXXUPDKXJXFTTTJ-UHFFFAOYSA-N
XLogP5.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]imidazole-4-carboxamide
CID 92768428
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92768819
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide
CID 46081295
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide (CID 46103182) is 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide is CCCC(CCC)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
The InChIKey is XXUPDKXJXFTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O/c1-3-5-18(6-4-2)27-23(29)22-14-26-15-28(22)19-10-7-16(8-11-19)17-9-12-20(24)21(25)13-17/h7-15,18H,3-6H2,1-2H3,(H,27,29).
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide?
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 5.52, 8 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-heptan-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 46103182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).