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

C17H18F3N3O — CID 51361109

IUPACN-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)16-22-13(11-7-3-1-4-8-11)14(23-16)15(24)21-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,21,24)(H,22,23)
InChIKeyVVECFBVQWYUPCJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.16
Rot. Bonds3

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

N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361109) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361109
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC NameN-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)16-22-13(11-7-3-1-4-8-11)14(23-16)15(24)21-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,21,24)(H,22,23)
InChIKeyVVECFBVQWYUPCJ-UHFFFAOYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361109) is N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NC1CCCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is VVECFBVQWYUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)16-22-13(11-7-3-1-4-8-11)14(23-16)15(24)21-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).