3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide

C13H18F3N3O2 — CID 138035831

IUPAC3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H18F3N3O2/c1-19-7-10(18-12(19)21)11(20)17-9-5-3-2-4-8(9)6-13(14,15)16/h7-9H,2-6H2,1H3,(H,17,20)(H,18,21)/t8-,9-/m0/s1
InChIKeyKKGJMSWHLDPOSX-IUCAKERBSA-N
MW305.30 g/mol
LogP1.95
Rot. Bonds3

About 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide

3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide (PubChem CID 138035831) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide
PubChem CID138035831
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H18F3N3O2/c1-19-7-10(18-12(19)21)11(20)17-9-5-3-2-4-8(9)6-13(14,15)16/h7-9H,2-6H2,1H3,(H,17,20)(H,18,21)/t8-,9-/m0/s1
InChIKeyKKGJMSWHLDPOSX-IUCAKERBSA-N
XLogP1.95
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide (CID 138035831) is 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide is Cn1cc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
The InChIKey is KKGJMSWHLDPOSX-IUCAKERBSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-19-7-10(18-12(19)21)11(20)17-9-5-3-2-4-8(9)6-13(14,15)16/h7-9H,2-6H2,1H3,(H,17,20)(H,18,21)/t8-,9-/m0/s1.
What are the key properties of 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide?
3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138035831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).