N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 78953979

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-19(8-11-17-5-6-18-11)12(20)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWRDDTPNBXHNUKE-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.74
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78953979) 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-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78953979
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-19(8-11-17-5-6-18-11)12(20)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWRDDTPNBXHNUKE-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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Related Compounds

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CID 3425823
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(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
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N-[2-(1H-imidazol-1-yl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 72891266
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
1H-imidazol-2-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 164626946
(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 164637047
2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 164640736
2-Ethyl-N-(3-(1H-imidazol-1-yl)propyl)hexanamide
CID 3023068
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-(1H-imidazol-2-yl)-2-methyldecan-1-one
CID 88444890

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78953979) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WRDDTPNBXHNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-11-17-5-6-18-11)12(20)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(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-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78953979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).