1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide

C33H24F6N4O2 — CID 12051311

IUPAC1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C33H24F6N4O2/c1-43-19-28(42-30(44)27-5-3-2-4-26(27)23-12-16-25(17-13-23)33(37,38)39)41-29(43)31(45)40-18-20-6-8-21(9-7-20)22-10-14-24(15-11-22)32(34,35)36/h2-17,19H,18H2,1H3,(H,40,45)(H,42,44)
InChIKeyGJALHNCXKGUKAR-UHFFFAOYSA-N
MW622.57 g/mol
LogP7.97
Rot. Bonds7

About 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide

1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide (PubChem CID 12051311) has the molecular formula C33H24F6N4O2 and a molecular weight of 622.57 g/mol. Its IUPAC name is 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
PubChem CID12051311
Molecular FormulaC33H24F6N4O2
Molecular Weight622.57 g/mol
Exact Mass622.18
IUPAC Name1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C33H24F6N4O2/c1-43-19-28(42-30(44)27-5-3-2-4-26(27)23-12-16-25(17-13-23)33(37,38)39)41-29(43)31(45)40-18-20-6-8-21(9-7-20)22-10-14-24(15-11-22)32(34,35)36/h2-17,19H,18H2,1H3,(H,40,45)(H,42,44)
InChIKeyGJALHNCXKGUKAR-UHFFFAOYSA-N
XLogP7.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.57
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 12051304
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86591546
N-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[c]pyrazole-3-carboxamide
CID 68959282
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
N-[4-[(2-acetamido-1,3-thiazol-4-yl)methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86591540
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144706
N-[2-[4-(4-chlorophenyl)phenyl]-5-formamido-1,4-dimethylpyrrol-3-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 90697035

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide (CID 12051311) is 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide is Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide?
The InChIKey is GJALHNCXKGUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F6N4O2/c1-43-19-28(42-30(44)27-5-3-2-4-26(27)23-12-16-25(17-13-23)33(37,38)39)41-29(43)31(45)40-18-20-6-8-21(9-7-20)22-10-14-24(15-11-22)32(34,35)36/h2-17,19H,18H2,1H3,(H,40,45)(H,42,44).
What are the key properties of 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide?
1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide has a molecular weight of 622.57 g/mol, XLogP of 7.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 12051311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).