N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide

C13H18F3N3O2 — CID 138035501

IUPACN,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)[nH]1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O2/c1-18-7-10(17-12(18)21)11(20)19(2)9-5-3-8(4-6-9)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,21)
InChIKeyOFFCUNQQPUUOGM-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.91
Rot. Bonds2

About N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide

N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide (PubChem CID 138035501) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide
PubChem CID138035501
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)[nH]1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O2/c1-18-7-10(17-12(18)21)11(20)19(2)9-5-3-8(4-6-9)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,21)
InChIKeyOFFCUNQQPUUOGM-UHFFFAOYSA-N
XLogP1.91
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide (CID 138035501) is N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide is CN(C(=O)c1cn(C)c(=O)[nH]1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The InChIKey is OFFCUNQQPUUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-18-7-10(17-12(18)21)11(20)19(2)9-5-3-8(4-6-9)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,21).
What are the key properties of N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138035501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).