1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

C20H21N3O2 — CID 4697738

IUPAC1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyOIAUJSAYADDJJY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4697738) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4697738
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyOIAUJSAYADDJJY-UHFFFAOYSA-N
XLogP3.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (CID 4697738) is 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is CCOc1ccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OIAUJSAYADDJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).