[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone

C15H16Cl2N4O — CID 122143394

IUPAC[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C15H16Cl2N4O/c1-19-9-13(18-10-19)15(22)21-7-5-20(6-8-21)14-11(16)3-2-4-12(14)17/h2-4,9-10H,5-8H2,1H3
InChIKeyOTGZKCPVLSGCBM-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.69
Rot. Bonds2

About [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 122143394) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID122143394
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C15H16Cl2N4O/c1-19-9-13(18-10-19)15(22)21-7-5-20(6-8-21)14-11(16)3-2-4-12(14)17/h2-4,9-10H,5-8H2,1H3
InChIKeyOTGZKCPVLSGCBM-UHFFFAOYSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
2-[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 103859886
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
CID 151593948
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 122143394) is [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is OTGZKCPVLSGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-19-9-13(18-10-19)15(22)21-7-5-20(6-8-21)14-11(16)3-2-4-12(14)17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 339.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 122143394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).