[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone

C22H24N4O — CID 43920542

IUPAC[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nccn1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-18-23-11-12-26(18)17-19-7-9-20(10-8-19)22(27)25-15-13-24(14-16-25)21-5-3-2-4-6-21/h2-12H,13-17H2,1H3
InChIKeyBGPRZPVAQKUZGN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.20
Rot. Bonds4

About [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 43920542) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID43920542
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nccn1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-18-23-11-12-26(18)17-19-7-9-20(10-8-19)22(27)25-15-13-24(14-16-25)21-5-3-2-4-6-21/h2-12H,13-17H2,1H3
InChIKeyBGPRZPVAQKUZGN-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
1-benzyl-2-methylimidazole
CID 158634472
[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 59768410
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 91797183
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 43920542) is [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone is Cc1nccn1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BGPRZPVAQKUZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-18-23-11-12-26(18)17-19-7-9-20(10-8-19)22(27)25-15-13-24(14-16-25)21-5-3-2-4-6-21/h2-12H,13-17H2,1H3.
What are the key properties of [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 43920542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).