4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one

C27H25N3O2 — CID 16964707

IUPAC4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C27H25N3O2/c1-19(20-10-4-2-5-11-20)29-17-22(16-26(29)32)27-28-23-14-8-9-15-24(23)30(27)18-25(31)21-12-6-3-7-13-21/h2-15,19,22H,16-18H2,1H3
InChIKeyXCMXLAUARLMTCG-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.00
Rot. Bonds6

About 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one

4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 16964707) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID16964707
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C27H25N3O2/c1-19(20-10-4-2-5-11-20)29-17-22(16-26(29)32)27-28-23-14-8-9-15-24(23)30(27)18-25(31)21-12-6-3-7-13-21/h2-15,19,22H,16-18H2,1H3
InChIKeyXCMXLAUARLMTCG-UHFFFAOYSA-N
XLogP5.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964563
N-butyl-N-methyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964688
N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964693
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964661
4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964652
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964629
1-(1-phenylethyl)-4-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964635
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003107
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964617
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964651
4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964663
4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964630

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 16964707) is 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1=O.
What is the InChIKey of 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is XCMXLAUARLMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19(20-10-4-2-5-11-20)29-17-22(16-26(29)32)27-28-23-14-8-9-15-24(23)30(27)18-25(31)21-12-6-3-7-13-21/h2-15,19,22H,16-18H2,1H3.
What are the key properties of 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 423.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 16964707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).