N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 115621028

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-19(8-11-17-6-7-18-11)12(20)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,18)
InChIKeyHFNSAEHRBAYHJG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.74
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115621028) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115621028
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-19(8-11-17-6-7-18-11)12(20)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,18)
InChIKeyHFNSAEHRBAYHJG-UHFFFAOYSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115621028) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HFNSAEHRBAYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-11-17-6-7-18-11)12(20)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115621028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).