(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C17H22N4O — CID 25284778

IUPAC(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1C
InChIInChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)3/h4-7,12H,8-11H2,1-3H3
InChIKeyZSVJDVOECUWDIH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.00
Rot. Bonds2

About (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 25284778) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID25284778
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1C
InChIInChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)3/h4-7,12H,8-11H2,1-3H3
InChIKeyZSVJDVOECUWDIH-UHFFFAOYSA-N
XLogP2.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 25284778) is (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ZSVJDVOECUWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).