2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

C20H26N4O2 — CID 26864495

IUPAC2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-15(25)23-13-7-10-18(23)20-21-16-8-3-4-9-17(16)24(20)14-19(26)22-11-5-2-6-12-22/h3-4,8-9,18H,2,5-7,10-14H2,1H3/t18-/m0/s1
InChIKeyCGGQDSPUUJQXIP-SFHVURJKSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds3

About 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 26864495) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID26864495
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-15(25)23-13-7-10-18(23)20-21-16-8-3-4-9-17(16)24(20)14-19(26)22-11-5-2-6-12-22/h3-4,8-9,18H,2,5-7,10-14H2,1H3/t18-/m0/s1
InChIKeyCGGQDSPUUJQXIP-SFHVURJKSA-N
XLogP2.73
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone 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

1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
1-[(2S)-2-[1-(cyclohexylmethyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97259770
1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 40773764
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264733
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92901885
1-[(2S)-2-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 42108786
1-[(2S)-2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735916
1-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264748
1-[(2S)-2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 39115804

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 26864495) is 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is CGGQDSPUUJQXIP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(25)23-13-7-10-18(23)20-21-16-8-3-4-9-17(16)24(20)14-19(26)22-11-5-2-6-12-22/h3-4,8-9,18H,2,5-7,10-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 354.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 26864495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).