2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

C22H25N3O — CID 16987650

IUPAC2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C22H25N3O/c1-16-10-11-18(17(2)14-16)22-23-19-8-4-5-9-20(19)25(22)15-21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyGLDBBGWLTXPMBA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds3

About 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 16987650) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID16987650
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C22H25N3O/c1-16-10-11-18(17(2)14-16)22-23-19-8-4-5-9-20(19)25(22)15-21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyGLDBBGWLTXPMBA-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
N-(2,4-dimethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224679
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
CID 17000352
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989734
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
CID 16987511
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 16987650) is 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is GLDBBGWLTXPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-10-11-18(17(2)14-16)22-23-19-8-4-5-9-20(19)25(22)15-21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 347.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 16987650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).