3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide

C16H25F2N3O — CID 56790564

IUPAC3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(CC1CCCCC1)C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22)
InChIKeyXBFJAMISGIXTCO-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.54
Rot. Bonds7

About 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide

3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 56790564) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID56790564
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(CC1CCCCC1)C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22)
InChIKeyXBFJAMISGIXTCO-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
CID 75411796
(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411808
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411825
2-cyclohexyl-N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}acetamide
CID 91923958
(1S,11R)-2-(1-methylimidazole-2-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201241
N-(3-imidazol-1-ylpropyl)cyclopentanecarboxamide
CID 4108958
3-acetamido-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyladamantane-1-carboxamide
CID 45872126

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide (CID 56790564) is 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide is CC(CC1CCCCC1)C(=O)NCCc1nccn1C(F)F.
What is the InChIKey of 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is XBFJAMISGIXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22).
What are the key properties of 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 56790564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).