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

C21H28N4O2 — CID 37023966

IUPAC(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-14(2)12-25-13-16(11-19(25)26)21(27)24-9-7-15(8-10-24)20-22-17-5-3-4-6-18(17)23-20/h3-6,14-16H,7-13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyHZHXYNKPGPSQQI-INIZCTEOSA-N
MW368.48 g/mol
LogP2.77
Rot. Bonds4

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

(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 37023966) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID37023966
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-14(2)12-25-13-16(11-19(25)26)21(27)24-9-7-15(8-10-24)20-22-17-5-3-4-6-18(17)23-20/h3-6,14-16H,7-13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyHZHXYNKPGPSQQI-INIZCTEOSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
(2R)-2-(1H-benzimidazol-2-yl)-3-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-3-oxopropanenitrile
CID 97015892
1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809969
[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155506967
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 33114517
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 51590631
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 37023966) is (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1=O.
What is the InChIKey of (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is HZHXYNKPGPSQQI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)12-25-13-16(11-19(25)26)21(27)24-9-7-15(8-10-24)20-22-17-5-3-4-6-18(17)23-20/h3-6,14-16H,7-13H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 37023966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).