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

C16H20N4O — CID 120878912

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C16H20N4O/c1-12-3-5-13(6-4-12)16(21)20-10-7-17-11-14(20)15-18-8-9-19(15)2/h3-6,8-9,14,17H,7,10-11H2,1-2H3
InChIKeyMUININREMVPGJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds2

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

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 120878912) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID120878912
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C16H20N4O/c1-12-3-5-13(6-4-12)16(21)20-10-7-17-11-14(20)15-18-8-9-19(15)2/h3-6,8-9,14,17H,7,10-11H2,1-2H3
InChIKeyMUININREMVPGJO-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120879889
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 120878912) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is MUININREMVPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-3-5-13(6-4-12)16(21)20-10-7-17-11-14(20)15-18-8-9-19(15)2/h3-6,8-9,14,17H,7,10-11H2,1-2H3.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 120878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).