[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone

C21H22N4O — CID 75402169

IUPAC[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(19-4-2-1-3-5-19)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)25-11-10-22-17-25/h1-11,17H,12-16H2
InChIKeySOSKPLKBDRYPOB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.83
Rot. Bonds4

About [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 75402169) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID75402169
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(19-4-2-1-3-5-19)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)25-11-10-22-17-25/h1-11,17H,12-16H2
InChIKeySOSKPLKBDRYPOB-UHFFFAOYSA-N
XLogP2.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 31533384
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
(4-benzylpiperazin-1-yl)-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone chloride
CID 53351503
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 87011035
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 55718532

Frequently Asked Questions

What is the IUPAC name of [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone (CID 75402169) is [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is SOSKPLKBDRYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(19-4-2-1-3-5-19)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)25-11-10-22-17-25/h1-11,17H,12-16H2.
What are the key properties of [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 346.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 75402169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).