2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide

C26H22F4N3O2- — CID 168786867

IUPAC2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)N([O-])C(c2ccc(F)c(-c3c(C)cccc3C)c2)N1
InChIInChI=1S/C26H22F4N3O2/c1-14-6-4-7-15(2)22(14)20-12-17(10-11-21(20)27)24-31-16(3)23(33(24)35)25(34)32-19-9-5-8-18(13-19)26(28,29)30/h4-13,24,31H,1-3H3,(H,32,34)/q-1
InChIKeyJBIXSHVERCOHJL-UHFFFAOYSA-N
MW484.47 g/mol
LogP6.40
Rot. Bonds4

About 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide

2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide (PubChem CID 168786867) has the molecular formula C26H22F4N3O2- and a molecular weight of 484.47 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide
PubChem CID168786867
Molecular FormulaC26H22F4N3O2-
Molecular Weight484.47 g/mol
Exact Mass484.17
IUPAC Name2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)N([O-])C(c2ccc(F)c(-c3c(C)cccc3C)c2)N1
InChIInChI=1S/C26H22F4N3O2/c1-14-6-4-7-15(2)22(14)20-12-17(10-11-21(20)27)24-31-16(3)23(33(24)35)25(34)32-19-9-5-8-18(13-19)26(28,29)30/h4-13,24,31H,1-3H3,(H,32,34)/q-1
InChIKeyJBIXSHVERCOHJL-UHFFFAOYSA-N
XLogP6.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide
CID 162538002
6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3956275
(4S)-4-(3-fluorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7860298
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
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
4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4830603
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4992882
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401847
(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2902142

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide (CID 168786867) is 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)N([O-])C(c2ccc(F)c(-c3c(C)cccc3C)c2)N1.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide?
The InChIKey is JBIXSHVERCOHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N3O2/c1-14-6-4-7-15(2)22(14)20-12-17(10-11-21(20)27)24-31-16(3)23(33(24)35)25(34)32-19-9-5-8-18(13-19)26(28,29)30/h4-13,24,31H,1-3H3,(H,32,34)/q-1.
What are the key properties of 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide?
2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)-4-fluorophenyl]-5-methyl-3-oxido-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 168786867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).