1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one

C24H28N4O — CID 93242474

IUPAC1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H28N4O/c29-24-8-4-14-28(24)20-11-9-18(10-12-20)16-27-13-3-5-19(17-27)15-23-25-21-6-1-2-7-22(21)26-23/h1-2,6-7,9-12,19H,3-5,8,13-17H2,(H,25,26)/t19-/m1/s1
InChIKeyFLHDZOKGIBRZEL-LJQANCHMSA-N
MW388.52 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one (PubChem CID 93242474) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
PubChem CID93242474
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H28N4O/c29-24-8-4-14-28(24)20-11-9-18(10-12-20)16-27-13-3-5-19(17-27)15-23-25-21-6-1-2-7-22(21)26-23/h1-2,6-7,9-12,19H,3-5,8,13-17H2,(H,25,26)/t19-/m1/s1
InChIKeyFLHDZOKGIBRZEL-LJQANCHMSA-N
XLogP4.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one (CID 93242474) is 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is FLHDZOKGIBRZEL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24-8-4-14-28(24)20-11-9-18(10-12-20)16-27-13-3-5-19(17-27)15-23-25-21-6-1-2-7-22(21)26-23/h1-2,6-7,9-12,19H,3-5,8,13-17H2,(H,25,26)/t19-/m1/s1.
What are the key properties of 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 388.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 93242474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).