[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C26H26N4O3S — CID 17438768

IUPAC[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O3S/c1-19-7-12-25(20(2)17-19)34(32,33)29-15-13-28(14-16-29)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-24(23)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeyAZKHSZAIXIKWCK-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.79
Rot. Bonds4

About [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17438768) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID17438768
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O3S/c1-19-7-12-25(20(2)17-19)34(32,33)29-15-13-28(14-16-29)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-24(23)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeyAZKHSZAIXIKWCK-UHFFFAOYSA-N
XLogP3.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone 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-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[4-(benzimidazol-1-yl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976869
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533
N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 46407162
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376
2,3-dihydro-1H-inden-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9011607
2-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24681800
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 4807363
[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
3-[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 42918205

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 17438768) is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AZKHSZAIXIKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-7-12-25(20(2)17-19)34(32,33)29-15-13-28(14-16-29)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-24(23)30/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 474.59 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17438768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).