[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C20H26Cl2N4O — CID 45284166

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C20H25ClN4O.ClH/c1-23-11-10-22-19(23)25-14-12-24(13-15-25)18(26)20(8-2-3-9-20)16-4-6-17(21)7-5-16;/h4-7,10-11H,2-3,8-9,12-15H2,1H3;1H
InChIKeyMHRNMGGYEVIDML-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.66
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 45284166) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID45284166
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C20H25ClN4O.ClH/c1-23-11-10-22-19(23)25-14-12-24(13-15-25)18(26)20(8-2-3-9-20)16-4-6-17(21)7-5-16;/h4-7,10-11H,2-3,8-9,12-15H2,1H3;1H
InChIKeyMHRNMGGYEVIDML-UHFFFAOYSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 45284166) is [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is MHRNMGGYEVIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O.ClH/c1-23-11-10-22-19(23)25-14-12-24(13-15-25)18(26)20(8-2-3-9-20)16-4-6-17(21)7-5-16;/h4-7,10-11H,2-3,8-9,12-15H2,1H3;1H.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 409.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 45284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).