1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone

C22H24N4O — CID 42111059

IUPAC1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-18-7-9-20(10-8-18)26-12-11-23-22(26)25-15-13-24(14-16-25)21(27)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3
InChIKeyBTCFYQHQRUMAMN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone

1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 42111059) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
PubChem CID42111059
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-18-7-9-20(10-8-18)26-12-11-23-22(26)25-15-13-24(14-16-25)21(27)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3
InChIKeyBTCFYQHQRUMAMN-UHFFFAOYSA-N
XLogP3.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630
(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
CID 45284274
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-methyl-4-(1-phenylimidazol-2-yl)piperazine
CID 21029534
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 45284270
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone (CID 42111059) is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone is Cc1ccc(-n2ccnc2N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is BTCFYQHQRUMAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-18-7-9-20(10-8-18)26-12-11-23-22(26)25-15-13-24(14-16-25)21(27)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3.
What are the key properties of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone?
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 360.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 42111059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).