(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one

C27H30N4O3 — CID 35140900

IUPAC(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CN1C[C@@H]1CCCO1
InChIInChI=1S/C27H30N4O3/c32-25-15-20(16-29(25)17-21-9-6-14-34-21)27-28-22-10-2-4-12-24(22)31(27)18-26(33)30-13-5-8-19-7-1-3-11-23(19)30/h1-4,7,10-12,20-21H,5-6,8-9,13-18H2/t20-,21+/m1/s1
InChIKeyBVHKBOZCAZICCR-RTWAWAEBSA-N
MW458.56 g/mol
LogP3.51
Rot. Bonds5

About (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one

(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one (PubChem CID 35140900) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one
PubChem CID35140900
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CN1C[C@@H]1CCCO1
InChIInChI=1S/C27H30N4O3/c32-25-15-20(16-29(25)17-21-9-6-14-34-21)27-28-22-10-2-4-12-24(22)31(27)18-26(33)30-13-5-8-19-7-1-3-11-23(19)30/h1-4,7,10-12,20-21H,5-6,8-9,13-18H2/t20-,21+/m1/s1
InChIKeyBVHKBOZCAZICCR-RTWAWAEBSA-N
XLogP3.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003254
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005823
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)benzimidazol-1-yl]ethanone
CID 1176479
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one (CID 35140900) is (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CN1C[C@@H]1CCCO1.
What is the InChIKey of (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is BVHKBOZCAZICCR-RTWAWAEBSA-N. The full InChI is InChI=1S/C27H30N4O3/c32-25-15-20(16-29(25)17-21-9-6-14-34-21)27-28-22-10-2-4-12-24(22)31(27)18-26(33)30-13-5-8-19-7-1-3-11-23(19)30/h1-4,7,10-12,20-21H,5-6,8-9,13-18H2/t20-,21+/m1/s1.
What are the key properties of (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one?
(4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 35140900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).