(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C24H23N3O — CID 1034388

IUPAC(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21
InChIInChI=1S/C24H23N3O/c1-2-14-26-22-12-6-5-11-20(22)25-24(26)18-15-23(28)27(16-18)21-13-7-9-17-8-3-4-10-19(17)21/h3-13,18H,2,14-16H2,1H3/t18-/m0/s1
InChIKeyKGLVLYRLTACKCU-SFHVURJKSA-N
MW369.47 g/mol
LogP5.12
Rot. Bonds4

About (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 1034388) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID1034388
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21
InChIInChI=1S/C24H23N3O/c1-2-14-26-22-12-6-5-11-20(22)25-24(26)18-15-23(28)27(16-18)21-13-7-9-17-8-3-4-10-19(17)21/h3-13,18H,2,14-16H2,1H3/t18-/m0/s1
InChIKeyKGLVLYRLTACKCU-SFHVURJKSA-N
XLogP5.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2958943
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 18811327
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 7080488
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002642
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889343
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964716
(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080683

Frequently Asked Questions

What is the IUPAC name of (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 1034388) is (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is KGLVLYRLTACKCU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-14-26-22-12-6-5-11-20(22)25-24(26)18-15-23(28)27(16-18)21-13-7-9-17-8-3-4-10-19(17)21/h3-13,18H,2,14-16H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 1034388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).