[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride

C17H20Cl2N4O — CID 45284327

IUPAC[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O.ClH/c18-14-2-1-3-15(12-14)22-7-6-19-17(22)21-10-8-20(9-11-21)16(23)13-4-5-13;/h1-3,6-7,12-13H,4-5,8-11H2;1H
InChIKeyVMJZHRQIEZAHMD-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.01
Rot. Bonds3

About [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride

[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride (PubChem CID 45284327) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
PubChem CID45284327
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O.ClH/c18-14-2-1-3-15(12-14)22-7-6-19-17(22)21-10-8-20(9-11-21)16(23)13-4-5-13;/h1-3,6-7,12-13H,4-5,8-11H2;1H
InChIKeyVMJZHRQIEZAHMD-UHFFFAOYSA-N
XLogP3.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 42111100
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 45284394
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 45284358
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride?
The IUPAC name of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride (CID 45284327) is [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride.
What is the SMILES notation for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride?
The canonical SMILES for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride is Cl.O=C(C1CC1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride?
The InChIKey is VMJZHRQIEZAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O.ClH/c18-14-2-1-3-15(12-14)22-7-6-19-17(22)21-10-8-20(9-11-21)16(23)13-4-5-13;/h1-3,6-7,12-13H,4-5,8-11H2;1H.
What are the key properties of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride?
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride is sourced from PubChem (CID 45284327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).