N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide

C35H31F2N3O — CID 175376760

IUPACN-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2nc(C(=O)Nc3cccc(C(F)(F)C4CC4)c3)c(C)[nH]2)c1
InChIInChI=1S/C35H31F2N3O/c1-21-9-7-10-22(2)31(21)26-17-25(24-11-5-4-6-12-24)18-27(19-26)33-38-23(3)32(40-33)34(41)39-30-14-8-13-29(20-30)35(36,37)28-15-16-28/h4-14,17-20,28H,15-16H2,1-3H3,(H,38,40)(H,39,41)
InChIKeyKAVDGEPLFZJQLL-UHFFFAOYSA-N
MW547.65 g/mol
LogP9.09
Rot. Bonds7

About N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide

N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376760) has the molecular formula C35H31F2N3O and a molecular weight of 547.65 g/mol. Its IUPAC name is N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID175376760
Molecular FormulaC35H31F2N3O
Molecular Weight547.65 g/mol
Exact Mass547.24
IUPAC NameN-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2nc(C(=O)Nc3cccc(C(F)(F)C4CC4)c3)c(C)[nH]2)c1
InChIInChI=1S/C35H31F2N3O/c1-21-9-7-10-22(2)31(21)26-17-25(24-11-5-4-6-12-24)18-27(19-26)33-38-23(3)32(40-33)34(41)39-30-14-8-13-29(20-30)35(36,37)28-15-16-28/h4-14,17-20,28H,15-16H2,1-3H3,(H,38,40)(H,39,41)
InChIKeyKAVDGEPLFZJQLL-UHFFFAOYSA-N
XLogP9.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376788
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-(methylamino)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525309
2-[3-acetyl-5-(2,6-dimethylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844814
N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 166392338
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376714
2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 155311333
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376789
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 166364749
N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
5-chloro-2-[(2-methylphenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 17012734

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376760) is N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2nc(C(=O)Nc3cccc(C(F)(F)C4CC4)c3)c(C)[nH]2)c1.
What is the InChIKey of N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is KAVDGEPLFZJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F2N3O/c1-21-9-7-10-22(2)31(21)26-17-25(24-11-5-4-6-12-24)18-27(19-26)33-38-23(3)32(40-33)34(41)39-30-14-8-13-29(20-30)35(36,37)28-15-16-28/h4-14,17-20,28H,15-16H2,1-3H3,(H,38,40)(H,39,41).
What are the key properties of N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 547.65 g/mol, XLogP of 9.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).