1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one

C20H20FN3O2 — CID 58229090

IUPAC1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1ccc(C2CCC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1
InChIInChI=1S/C20H20FN3O2/c1-2-9-26-14-4-5-15(16(21)11-14)19-7-8-20(25)24(19)13-3-6-17-18(10-13)23-12-22-17/h3-6,10-12,19H,2,7-9H2,1H3,(H,22,23)
InChIKeyXRPQPSOUESDUQY-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.36
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one (PubChem CID 58229090) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one
PubChem CID58229090
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1ccc(C2CCC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1
InChIInChI=1S/C20H20FN3O2/c1-2-9-26-14-4-5-15(16(21)11-14)19-7-8-20(25)24(19)13-3-6-17-18(10-13)23-12-22-17/h3-6,10-12,19H,2,7-9H2,1H3,(H,22,23)
InChIKeyXRPQPSOUESDUQY-UHFFFAOYSA-N
XLogP4.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one (CID 58229090) is 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one is CCCOc1ccc(C2CCC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one?
The InChIKey is XRPQPSOUESDUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-9-26-14-4-5-15(16(21)11-14)19-7-8-20(25)24(19)13-3-6-17-18(10-13)23-12-22-17/h3-6,10-12,19H,2,7-9H2,1H3,(H,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one has a molecular weight of 353.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(2-fluoro-4-propoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 58229090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).