(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C21H28N4O2 — CID 124876799

IUPAC(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-14(2)12-24-13-15(11-19(24)26)21(27)25-10-6-5-9-18(25)20-22-16-7-3-4-8-17(16)23-20/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyHCFDDYOJQGBXGM-YJBOKZPZSA-N
MW368.48 g/mol
LogP3.12
Rot. Bonds4

About (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 124876799) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID124876799
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-14(2)12-24-13-15(11-19(24)26)21(27)25-10-6-5-9-18(25)20-22-16-7-3-4-8-17(16)23-20/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyHCFDDYOJQGBXGM-YJBOKZPZSA-N
XLogP3.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 44783495
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110244580
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(2R)-2-(1H-benzimidazol-2-yl)-3-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-3-oxopropanenitrile
CID 97015892
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 124876799) is (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is HCFDDYOJQGBXGM-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)12-24-13-15(11-19(24)26)21(27)25-10-6-5-9-18(25)20-22-16-7-3-4-8-17(16)23-20/h3-4,7-8,14-15,18H,5-6,9-13H2,1-2H3,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 124876799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).