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

C26H26N4O — CID 71251911

IUPAC[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O/c1-19-7-12-24(20(2)17-19)28-13-15-29(16-14-28)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-25(23)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeyWPMMERTZDCZJMQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.60
Rot. Bonds3

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

[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 71251911) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID71251911
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O/c1-19-7-12-24(20(2)17-19)28-13-15-29(16-14-28)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-25(23)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeyWPMMERTZDCZJMQ-UHFFFAOYSA-N
XLogP4.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
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[4-(benzimidazol-1-yl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976869
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
[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-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 92786824
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572911

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 71251911) is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is WPMMERTZDCZJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-7-12-24(20(2)17-19)28-13-15-29(16-14-28)26(31)21-8-10-22(11-9-21)30-18-27-23-5-3-4-6-25(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)piperazin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71251911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).