N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C16H18F3N3O — CID 51361117

IUPACN-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCCCCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C16H18F3N3O/c1-2-3-7-10-20-14(23)13-12(11-8-5-4-6-9-11)21-15(22-13)16(17,18)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLBKKZZHJPSRREP-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.02
Rot. Bonds6

About N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361117) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361117
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCCCCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C16H18F3N3O/c1-2-3-7-10-20-14(23)13-12(11-8-5-4-6-9-11)21-15(22-13)16(17,18)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLBKKZZHJPSRREP-UHFFFAOYSA-N
XLogP4.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361100
N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361099
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689389
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)amino]pentyl]heptanamide
CID 10432968

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361117) is N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is CCCCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is LBKKZZHJPSRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-2-3-7-10-20-14(23)13-12(11-8-5-4-6-9-11)21-15(22-13)16(17,18)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).