[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride

C15H19Cl2FN4O — CID 119576959

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCN1.Cl.Cl
InChIInChI=1S/C15H17FN4O.2ClH/c1-11-9-19(7-6-18-11)15(21)14-8-17-10-20(14)13-4-2-12(16)3-5-13;;/h2-5,8,10-11,18H,6-7,9H2,1H3;2*1H
InChIKeyDDRFWLUHKYKMGA-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.29
Rot. Bonds2

About [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride

[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119576959) has the molecular formula C15H19Cl2FN4O and a molecular weight of 361.25 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119576959
Molecular FormulaC15H19Cl2FN4O
Molecular Weight361.25 g/mol
Exact Mass360.09
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCN1.Cl.Cl
InChIInChI=1S/C15H17FN4O.2ClH/c1-11-9-19(7-6-18-11)15(21)14-8-17-10-20(14)13-4-2-12(16)3-5-13;;/h2-5,8,10-11,18H,6-7,9H2,1H3;2*1H
InChIKeyDDRFWLUHKYKMGA-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119576959) is [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride is CC1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCN1.Cl.Cl.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is DDRFWLUHKYKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.2ClH/c1-11-9-19(7-6-18-11)15(21)14-8-17-10-20(14)13-4-2-12(16)3-5-13;;/h2-5,8,10-11,18H,6-7,9H2,1H3;2*1H.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 361.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119576959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).