[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone

C25H22N4O2 — CID 17475824

IUPAC[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1
InChIInChI=1S/C25H22N4O2/c30-24(19-6-2-1-3-7-19)27-14-16-28(17-15-27)25(31)20-10-12-21(13-11-20)29-18-26-22-8-4-5-9-23(22)29/h1-13,18H,14-17H2
InChIKeyHCEAJSNISSRVFM-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.62
Rot. Bonds3

About [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone

[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone (PubChem CID 17475824) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
PubChem CID17475824
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1
InChIInChI=1S/C25H22N4O2/c30-24(19-6-2-1-3-7-19)27-14-16-28(17-15-27)25(31)20-10-12-21(13-11-20)29-18-26-22-8-4-5-9-23(22)29/h1-13,18H,14-17H2
InChIKeyHCEAJSNISSRVFM-UHFFFAOYSA-N
XLogP3.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(benzimidazol-1-yl)benzoyl]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-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
[4-(benzimidazol-1-yl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976869
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 92786824
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 136524692
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 55953307
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17438768
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150

Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone (CID 17475824) is [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1.
What is the InChIKey of [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is HCEAJSNISSRVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-24(19-6-2-1-3-7-19)27-14-16-28(17-15-27)25(31)20-10-12-21(13-11-20)29-18-26-22-8-4-5-9-23(22)29/h1-13,18H,14-17H2.
What are the key properties of [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 410.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 17475824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).