4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one

C30H30N4O2 — CID 17003254

IUPAC4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CC1=O
InChIInChI=1S/C30H30N4O2/c1-20-9-7-10-21(2)29(20)34-18-23(17-27(34)35)30-31-24-13-4-6-15-26(24)33(30)19-28(36)32-16-8-12-22-11-3-5-14-25(22)32/h3-7,9-11,13-15,23H,8,12,16-19H2,1-2H3
InChIKeyVAFNOLSBTRZTJU-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.15
Rot. Bonds4

About 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one

4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one (PubChem CID 17003254) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
PubChem CID17003254
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CC1=O
InChIInChI=1S/C30H30N4O2/c1-20-9-7-10-21(2)29(20)34-18-23(17-27(34)35)30-31-24-13-4-6-15-26(24)33(30)19-28(36)32-16-8-12-22-11-3-5-14-25(22)32/h3-7,9-11,13-15,23H,8,12,16-19H2,1-2H3
InChIKeyVAFNOLSBTRZTJU-UHFFFAOYSA-N
XLogP5.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
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
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003117
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387044
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
N-benzyl-2-[2-[1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003258
1-(2-ethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003786
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one (CID 17003254) is 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(C)c1N1CC(c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CC1=O.
What is the InChIKey of 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is VAFNOLSBTRZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-20-9-7-10-21(2)29(20)34-18-23(17-27(34)35)30-31-24-13-4-6-15-26(24)33(30)19-28(36)32-16-8-12-22-11-3-5-14-25(22)32/h3-7,9-11,13-15,23H,8,12,16-19H2,1-2H3.
What are the key properties of 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 478.60 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).