3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one

C17H22N4O — CID 175954411

IUPAC3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one
SMILESCC1CC(n2c([C@H]3CCNC3)nc3ccccc32)CNC1=O
InChIInChI=1S/C17H22N4O/c1-11-8-13(10-19-17(11)22)21-15-5-3-2-4-14(15)20-16(21)12-6-7-18-9-12/h2-5,11-13,18H,6-10H2,1H3,(H,19,22)/t11?,12-,13?/m0/s1
InChIKeyOONWDTTUTWGQNG-CPCZMJQVSA-N
MW298.39 g/mol
LogP1.81
Rot. Bonds2

About 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one

3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one (PubChem CID 175954411) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one
PubChem CID175954411
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one
SMILESCC1CC(n2c([C@H]3CCNC3)nc3ccccc32)CNC1=O
InChIInChI=1S/C17H22N4O/c1-11-8-13(10-19-17(11)22)21-15-5-3-2-4-14(15)20-16(21)12-6-7-18-9-12/h2-5,11-13,18H,6-10H2,1H3,(H,19,22)/t11?,12-,13?/m0/s1
InChIKeyOONWDTTUTWGQNG-CPCZMJQVSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
2-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]-1,3-benzothiazole
CID 86275729
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
CID 86275254
1-cyclopropyl-2-(2-methylpyrrolidin-3-yl)benzimidazole
CID 79364147
2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole
CID 123176599
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
5-[2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 63661964
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
CID 63870232

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one?
The IUPAC name of 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one (CID 175954411) is 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one.
What is the SMILES notation for 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one?
The canonical SMILES for 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one is CC1CC(n2c([C@H]3CCNC3)nc3ccccc32)CNC1=O.
What is the InChIKey of 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one?
The InChIKey is OONWDTTUTWGQNG-CPCZMJQVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-8-13(10-19-17(11)22)21-15-5-3-2-4-14(15)20-16(21)12-6-7-18-9-12/h2-5,11-13,18H,6-10H2,1H3,(H,19,22)/t11?,12-,13?/m0/s1.
What are the key properties of 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one?
3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(3S)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-2-one is sourced from PubChem (CID 175954411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).