[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

C17H21ClN4O — CID 138997981

IUPAC[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH]1
InChIInChI=1S/C17H21ClN4O/c1-12-19-10-15(20-12)16(23)22-9-8-21(11-17(22,2)3)14-6-4-13(18)5-7-14/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyMALRZSYCKLGMLX-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.11
Rot. Bonds2

About [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (PubChem CID 138997981) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
PubChem CID138997981
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH]1
InChIInChI=1S/C17H21ClN4O/c1-12-19-10-15(20-12)16(23)22-9-8-21(11-17(22,2)3)14-6-4-13(18)5-7-14/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyMALRZSYCKLGMLX-UHFFFAOYSA-N
XLogP3.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (CID 138997981) is [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is Cc1ncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[nH]1.
What is the InChIKey of [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The InChIKey is MALRZSYCKLGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-19-10-15(20-12)16(23)22-9-8-21(11-17(22,2)3)14-6-4-13(18)5-7-14/h4-7,10H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone has a molecular weight of 332.84 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 138997981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).