[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C18H21Cl3N4O — CID 120877549

IUPAC[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O.ClH/c1-23-7-6-22-17(23)15-10-21-5-8-24(15)18(25)13-9-12(13)11-3-2-4-14(19)16(11)20;/h2-4,6-7,12-13,15,21H,5,8-10H2,1H3;1H
InChIKeyUYPVXGLMPBNGBB-UHFFFAOYSA-N
MW415.75 g/mol
LogP3.43
Rot. Bonds3

About [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120877549) has the molecular formula C18H21Cl3N4O and a molecular weight of 415.75 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120877549
Molecular FormulaC18H21Cl3N4O
Molecular Weight415.75 g/mol
Exact Mass414.08
IUPAC Name[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O.ClH/c1-23-7-6-22-17(23)15-10-21-5-8-24(15)18(25)13-9-12(13)11-3-2-4-14(19)16(11)20;/h2-4,6-7,12-13,15,21H,5,8-10H2,1H3;1H
InChIKeyUYPVXGLMPBNGBB-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877797
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 120878210
2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879660
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878291
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
3-(2-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878635
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120738408

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120877549) is [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is UYPVXGLMPBNGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O.ClH/c1-23-7-6-22-17(23)15-10-21-5-8-24(15)18(25)13-9-12(13)11-3-2-4-14(19)16(11)20;/h2-4,6-7,12-13,15,21H,5,8-10H2,1H3;1H.
What are the key properties of [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 415.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).