2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride

C12H21Cl2F2N5O — CID 119915287

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nccn1C(F)F.Cl.Cl
InChIInChI=1S/C12H19F2N5O.2ClH/c1-17(8-10-16-4-7-19(10)12(13)14)9-11(20)18-5-2-15-3-6-18;;/h4,7,12,15H,2-3,5-6,8-9H2,1H3;2*1H
InChIKeyBCWSWADDCSZJNN-UHFFFAOYSA-N
MW360.24 g/mol
LogP0.99
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride (PubChem CID 119915287) has the molecular formula C12H21Cl2F2N5O and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
PubChem CID119915287
Molecular FormulaC12H21Cl2F2N5O
Molecular Weight360.24 g/mol
Exact Mass359.11
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nccn1C(F)F.Cl.Cl
InChIInChI=1S/C12H19F2N5O.2ClH/c1-17(8-10-16-4-7-19(10)12(13)14)9-11(20)18-5-2-15-3-6-18;;/h4,7,12,15H,2-3,5-6,8-9H2,1H3;2*1H
InChIKeyBCWSWADDCSZJNN-UHFFFAOYSA-N
XLogP0.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]ethanone
CID 60500161
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60500424

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride (CID 119915287) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride is CN(CC(=O)N1CCNCC1)Cc1nccn1C(F)F.Cl.Cl.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride?
The InChIKey is BCWSWADDCSZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5O.2ClH/c1-17(8-10-16-4-7-19(10)12(13)14)9-11(20)18-5-2-15-3-6-18;;/h4,7,12,15H,2-3,5-6,8-9H2,1H3;2*1H.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride has a molecular weight of 360.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119915287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).