ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate

C24H27N3O3 — CID 90682069

IUPACethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2CCCN1CCCC1=O
InChIInChI=1S/C24H27N3O3/c1-3-30-24(29)19-11-12-21-20(16-19)25-23(18-9-7-17(2)8-10-18)27(21)15-5-14-26-13-4-6-22(26)28/h7-12,16H,3-6,13-15H2,1-2H3
InChIKeyYSXNVYMJKJWSKL-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.20
Rot. Bonds7

About ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate

ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate (PubChem CID 90682069) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate
PubChem CID90682069
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2CCCN1CCCC1=O
InChIInChI=1S/C24H27N3O3/c1-3-30-24(29)19-11-12-21-20(16-19)25-23(18-9-7-17(2)8-10-18)27(21)15-5-14-26-13-4-6-22(26)28/h7-12,16H,3-6,13-15H2,1-2H3
InChIKeyYSXNVYMJKJWSKL-UHFFFAOYSA-N
XLogP4.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate (CID 90682069) is ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2CCCN1CCCC1=O.
What is the InChIKey of ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate?
The InChIKey is YSXNVYMJKJWSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-30-24(29)19-11-12-21-20(16-19)25-23(18-9-7-17(2)8-10-18)27(21)15-5-14-26-13-4-6-22(26)28/h7-12,16H,3-6,13-15H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate?
ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 90682069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).