N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide

C29H35F2N3O2 — CID 175376714

IUPACN-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC)c(C4C(C)CCCC4C)c3)[nH]c2C)c1
InChIInChI=1S/C29H35F2N3O2/c1-6-29(30,31)21-11-8-12-22(16-21)33-28(35)26-19(4)32-27(34-26)20-13-14-24(36-5)23(15-20)25-17(2)9-7-10-18(25)3/h8,11-18,25H,6-7,9-10H2,1-5H3,(H,32,34)(H,33,35)
InChIKeyGABPRLMMACCBJM-UHFFFAOYSA-N
MW495.61 g/mol
LogP7.69
Rot. Bonds7

About N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide

N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376714) has the molecular formula C29H35F2N3O2 and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID175376714
Molecular FormulaC29H35F2N3O2
Molecular Weight495.61 g/mol
Exact Mass495.27
IUPAC NameN-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC)c(C4C(C)CCCC4C)c3)[nH]c2C)c1
InChIInChI=1S/C29H35F2N3O2/c1-6-29(30,31)21-11-8-12-22(16-21)33-28(35)26-19(4)32-27(34-26)20-13-14-24(36-5)23(15-20)25-17(2)9-7-10-18(25)3/h8,11-18,25H,6-7,9-10H2,1-5H3,(H,32,34)(H,33,35)
InChIKeyGABPRLMMACCBJM-UHFFFAOYSA-N
XLogP7.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525
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-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376789
2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844729
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376760
6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
CID 155287010
[4-[[3-(1,1-difluoropropyl)phenyl]carbamoyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methylimidazol-1-yl]methyl dihydrogen phosphate
CID 175376762
dibutyl [4-[[3-(1,1-difluoropropyl)phenyl]carbamoyl]-2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methylimidazol-1-yl]methyl phosphate
CID 166845011
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525243
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
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
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844685

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376714) is N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC)c(C4C(C)CCCC4C)c3)[nH]c2C)c1.
What is the InChIKey of N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is GABPRLMMACCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O2/c1-6-29(30,31)21-11-8-12-22(16-21)33-28(35)26-19(4)32-27(34-26)20-13-14-24(36-5)23(15-20)25-17(2)9-7-10-18(25)3/h8,11-18,25H,6-7,9-10H2,1-5H3,(H,32,34)(H,33,35).
What are the key properties of N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 7.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).