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

C21H23N3O2 — CID 17001389

IUPAC2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-17-11-9-16(10-12-17)21-22-18-7-3-4-8-19(18)24(21)15-20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKeyYILQOWCVZQYTJH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.72
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 17001389) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID17001389
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-17-11-9-16(10-12-17)21-22-18-7-3-4-8-19(18)24(21)15-20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKeyYILQOWCVZQYTJH-UHFFFAOYSA-N
XLogP3.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16987650
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
CID 17000352
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 17001389) is 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is COc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YILQOWCVZQYTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-17-11-9-16(10-12-17)21-22-18-7-3-4-8-19(18)24(21)15-20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 349.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 17001389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).