N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide

C16H16ClF3N4O2 — CID 69073361

IUPACN-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)CCCC(F)(F)F
InChIInChI=1S/C16H16ClF3N4O2/c1-24-9-21-13(15(26)22-11-6-4-10(17)5-7-11)14(24)23-12(25)3-2-8-16(18,19)20/h4-7,9H,2-3,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyHGYYKLRCVIEYIY-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.00
Rot. Bonds6

About N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide (PubChem CID 69073361) has the molecular formula C16H16ClF3N4O2 and a molecular weight of 388.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide
PubChem CID69073361
Molecular FormulaC16H16ClF3N4O2
Molecular Weight388.78 g/mol
Exact Mass388.09
IUPAC NameN-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)CCCC(F)(F)F
InChIInChI=1S/C16H16ClF3N4O2/c1-24-9-21-13(15(26)22-11-6-4-10(17)5-7-11)14(24)23-12(25)3-2-8-16(18,19)20/h4-7,9H,2-3,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyHGYYKLRCVIEYIY-UHFFFAOYSA-N
XLogP4.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxylate
CID 69076081
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435
ethyl 1-methyl-5-(4,4,4-trifluorobutanoylamino)imidazole-4-carboxylate
CID 69076423
N-(4-chlorophenyl)tridecanamide
CID 4195215
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
N-(4-acetamidophenyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19554099
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
CID 60503579
5-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pentanamide;2,2,2-trifluoroacetic acid
CID 166299142
N-[4-(4-chloroanilino)-4-oxobutyl]-3,5-bis(trifluoromethyl)benzamide
CID 46225306

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide (CID 69073361) is N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide?
The InChIKey is HGYYKLRCVIEYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O2/c1-24-9-21-13(15(26)22-11-6-4-10(17)5-7-11)14(24)23-12(25)3-2-8-16(18,19)20/h4-7,9H,2-3,8H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide has a molecular weight of 388.78 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-5-(5,5,5-trifluoropentanoylamino)imidazole-4-carboxamide is sourced from PubChem (CID 69073361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).