(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C15H16Cl2N4O — CID 120880230

IUPAC(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N4O/c1-20-4-3-19-14(20)13-9-18-2-5-21(13)15(22)10-6-11(16)8-12(17)7-10/h3-4,6-8,13,18H,2,5,9H2,1H3
InChIKeyCNPHBMBCXXENBZ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.51
Rot. Bonds2

About (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120880230) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120880230
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N4O/c1-20-4-3-19-14(20)13-9-18-2-5-21(13)15(22)10-6-11(16)8-12(17)7-10/h3-4,6-8,13,18H,2,5,9H2,1H3
InChIKeyCNPHBMBCXXENBZ-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880336
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[1-(3-chlorophenyl)pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880813
(2,4-dichloro-5-methylsulfanylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877708
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120879001

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120880230) is (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1C1CNCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is CNPHBMBCXXENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-20-4-3-19-14(20)13-9-18-2-5-21(13)15(22)10-6-11(16)8-12(17)7-10/h3-4,6-8,13,18H,2,5,9H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 339.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120880230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).