1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C29H25N3O2 — CID 2958943

IUPAC1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc2ccccc12
InChIInChI=1S/C29H25N3O2/c33-28-19-22(20-32(28)26-16-8-10-21-9-4-5-13-24(21)26)29-30-25-14-6-7-15-27(25)31(29)17-18-34-23-11-2-1-3-12-23/h1-16,22H,17-20H2
InChIKeyRBDNPNMZGJRAKR-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.79
Rot. Bonds6

About 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 2958943) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID2958943
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc2ccccc12
InChIInChI=1S/C29H25N3O2/c33-28-19-22(20-32(28)26-16-8-10-21-9-4-5-13-24(21)26)29-30-25-14-6-7-15-27(25)31(29)17-18-34-23-11-2-1-3-12-23/h1-16,22H,17-20H2
InChIKeyRBDNPNMZGJRAKR-UHFFFAOYSA-N
XLogP5.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812273
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388
(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813543
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
1-(2-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003355
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 18811327
(4S)-1-(2,3-dimethylphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814582
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179986
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
(4R)-1-(2-bromophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814623
(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836151
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 2958943) is 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is RBDNPNMZGJRAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c33-28-19-22(20-32(28)26-16-8-10-21-9-4-5-13-24(21)26)29-30-25-14-6-7-15-27(25)31(29)17-18-34-23-11-2-1-3-12-23/h1-16,22H,17-20H2.
What are the key properties of 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 447.54 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 2958943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).