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

C26H22F4N4O2 — CID 155311333

IUPAC2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)c(-c4ccccc4)n3)[nH]c2C)c1
InChIInChI=1S/C26H22F4N4O2/c1-3-26(29,30)17-10-7-11-18(14-17)32-24(35)21-15(2)31-23(34-21)19-12-13-20(36-25(27)28)22(33-19)16-8-5-4-6-9-16/h4-14,25H,3H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGMSIOKWSAGHZTH-UHFFFAOYSA-N
MW498.48 g/mol
LogP6.80
Rot. Bonds8

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

2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 155311333) has the molecular formula C26H22F4N4O2 and a molecular weight of 498.48 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID155311333
Molecular FormulaC26H22F4N4O2
Molecular Weight498.48 g/mol
Exact Mass498.17
IUPAC Name2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)c(-c4ccccc4)n3)[nH]c2C)c1
InChIInChI=1S/C26H22F4N4O2/c1-3-26(29,30)17-10-7-11-18(14-17)32-24(35)21-15(2)31-23(34-21)19-12-13-20(36-25(27)28)22(33-19)16-8-5-4-6-9-16/h4-14,25H,3H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGMSIOKWSAGHZTH-UHFFFAOYSA-N
XLogP6.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.48
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376714
6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
CID 155287010
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-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 155287045
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376760
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
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
[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
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 155311333) is 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)c(-c4ccccc4)n3)[nH]c2C)c1.
What is the InChIKey of 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is GMSIOKWSAGHZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O2/c1-3-26(29,30)17-10-7-11-18(14-17)32-24(35)21-15(2)31-23(34-21)19-12-13-20(36-25(27)28)22(33-19)16-8-5-4-6-9-16/h4-14,25H,3H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 498.48 g/mol, XLogP of 6.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155311333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).