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

C15H17ClN4O — CID 131929401

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4O/c1-18-7-6-17-14(18)15(21)20-10-8-19(9-11-20)13-5-3-2-4-12(13)16/h2-7H,8-11H2,1H3
InChIKeyVADZVPBRIQDUPR-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.04
Rot. Bonds2

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

[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 131929401) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID131929401
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4O/c1-18-7-6-17-14(18)15(21)20-10-8-19(9-11-20)13-5-3-2-4-12(13)16/h2-7H,8-11H2,1H3
InChIKeyVADZVPBRIQDUPR-UHFFFAOYSA-N
XLogP2.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 131929401) is [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is VADZVPBRIQDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-18-7-6-17-14(18)15(21)20-10-8-19(9-11-20)13-5-3-2-4-12(13)16/h2-7H,8-11H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 131929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).