6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one

C24H28N4O3 — CID 164959637

IUPAC6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(=O)c1ccc2nc(CN3CCC(c4cccc(=O)[nH]4)CC3)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C24H28N4O3/c1-16(29)18-5-6-21-22(13-18)28(14-19-9-12-31-19)23(25-21)15-27-10-7-17(8-11-27)20-3-2-4-24(30)26-20/h2-6,13,17,19H,7-12,14-15H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyBQTMYKRDSALXFA-IBGZPJMESA-N
MW420.51 g/mol
LogP3.10
Rot. Bonds6

About 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one

6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 164959637) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID164959637
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(=O)c1ccc2nc(CN3CCC(c4cccc(=O)[nH]4)CC3)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C24H28N4O3/c1-16(29)18-5-6-21-22(13-18)28(14-19-9-12-31-19)23(25-21)15-27-10-7-17(8-11-27)20-3-2-4-24(30)26-20/h2-6,13,17,19H,7-12,14-15H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyBQTMYKRDSALXFA-IBGZPJMESA-N
XLogP3.10
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one 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

methyl 3-(2-methoxyethyl)-2-[[4-(6-oxo-1H-pyridin-2-yl)piperidin-1-yl]methyl]benzimidazole-5-carboxylate
CID 134611181
1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
CID 178171699
1-[2-[[4-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]ethanone
CID 170270483
2-[[4-[6-[(4-acetylthiophen-2-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 165141294
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 164601697
methyl 3-(oxetan-2-ylmethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 175485964
methyl 2-[[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 167016319
2-[[4-[6-[(5-acetylthiophen-2-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 165141300
2-[[4-[2-(5-chloro-2-pyridinyl)-1,3-benzodioxol-4-yl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;ethane
CID 178060377
2-[[4-[2-[(4-chloro-2-fluorophenyl)methyl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 166094875
2-[[4-[6-[(3-acetyl-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 167015921
1-[5-[[6-[1-[[6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]thiophen-3-yl]ethanone
CID 174332183

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 164959637) is 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one is CC(=O)c1ccc2nc(CN3CCC(c4cccc(=O)[nH]4)CC3)n(C[C@@H]3CCO3)c2c1.
What is the InChIKey of 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is BQTMYKRDSALXFA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(29)18-5-6-21-22(13-18)28(14-19-9-12-31-19)23(25-21)15-27-10-7-17(8-11-27)20-3-2-4-24(30)26-20/h2-6,13,17,19H,7-12,14-15H2,1H3,(H,26,30)/t19-/m0/s1.
What are the key properties of 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 164959637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).