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

C18H22BrClN4O — CID 120877797

IUPAC[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C18H21BrN4O.ClH/c1-22-7-6-21-17(22)16-11-20-5-8-23(16)18(24)15-10-14(15)12-3-2-4-13(19)9-12;/h2-4,6-7,9,14-16,20H,5,8,10-11H2,1H3;1H
InChIKeyAVSSXKJDGHEIHQ-UHFFFAOYSA-N
MW425.76 g/mol
LogP2.88
Rot. Bonds3

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

[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120877797) has the molecular formula C18H22BrClN4O and a molecular weight of 425.76 g/mol. Its IUPAC name is [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120877797
Molecular FormulaC18H22BrClN4O
Molecular Weight425.76 g/mol
Exact Mass424.07
IUPAC Name[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C18H21BrN4O.ClH/c1-22-7-6-21-17(22)16-11-20-5-8-23(16)18(24)15-10-14(15)12-3-2-4-13(19)9-12;/h2-4,6-7,9,14-16,20H,5,8,10-11H2,1H3;1H
InChIKeyAVSSXKJDGHEIHQ-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 120878210
[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877549
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120877797) is [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)C1CC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is AVSSXKJDGHEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O.ClH/c1-22-7-6-21-17(22)16-11-20-5-8-23(16)18(24)15-10-14(15)12-3-2-4-13(19)9-12;/h2-4,6-7,9,14-16,20H,5,8,10-11H2,1H3;1H.
What are the key properties of [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 425.76 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120877797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).