(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride

C15H25Cl2F2N5O — CID 119868002

IUPAC(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CCCC1
InChIInChI=1S/C15H23F2N5O.2ClH/c16-14(17)22-6-5-19-12(22)11-20-7-9-21(10-8-20)13(23)15(18)3-1-2-4-15;;/h5-6,14H,1-4,7-11,18H2;2*1H
InChIKeyHOMDZXNSWUCETM-UHFFFAOYSA-N
MW400.30 g/mol
LogP2.04
Rot. Bonds4

About (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119868002) has the molecular formula C15H25Cl2F2N5O and a molecular weight of 400.30 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119868002
Molecular FormulaC15H25Cl2F2N5O
Molecular Weight400.30 g/mol
Exact Mass399.14
IUPAC Name(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CCCC1
InChIInChI=1S/C15H23F2N5O.2ClH/c16-14(17)22-6-5-19-12(22)11-20-7-9-21(10-8-20)13(23)15(18)3-1-2-4-15;;/h5-6,14H,1-4,7-11,18H2;2*1H
InChIKeyHOMDZXNSWUCETM-UHFFFAOYSA-N
XLogP2.04
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
3-cyclopropyl-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 126800766
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
3-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119868000
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 167843932
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 78847721
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 78832010
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 112806100
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119868002) is (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is HOMDZXNSWUCETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O.2ClH/c16-14(17)22-6-5-19-12(22)11-20-7-9-21(10-8-20)13(23)15(18)3-1-2-4-15;;/h5-6,14H,1-4,7-11,18H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 400.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119868002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).