1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride

C13H22Cl2F2N4O — CID 119853720

IUPAC1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C13H20F2N4O.2ClH/c1-18(9-10-17-7-8-19(10)12(14)15)11(20)13(16)5-3-2-4-6-13;;/h7-8,12H,2-6,9,16H2,1H3;2*1H
InChIKeyVZIBLHYBKUVFAO-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.74
Rot. Bonds4

About 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119853720) has the molecular formula C13H22Cl2F2N4O and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
PubChem CID119853720
Molecular FormulaC13H22Cl2F2N4O
Molecular Weight359.25 g/mol
Exact Mass358.11
IUPAC Name1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C13H20F2N4O.2ClH/c1-18(9-10-17-7-8-19(10)12(14)15)11(20)13(16)5-3-2-4-6-13;;/h7-8,12H,2-6,9,16H2,1H3;2*1H
InChIKeyVZIBLHYBKUVFAO-UHFFFAOYSA-N
XLogP2.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868002
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride (CID 119853720) is 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride is CN(Cc1nccn1C(F)F)C(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is VZIBLHYBKUVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O.2ClH/c1-18(9-10-17-7-8-19(10)12(14)15)11(20)13(16)5-3-2-4-6-13;;/h7-8,12H,2-6,9,16H2,1H3;2*1H.
What are the key properties of 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 359.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119853720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).