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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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).