[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

C25H28N4O4 — CID 30263426

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C25H28N4O4/c1-2-22-27-20-13-7-8-14-21(20)29(22)15-24(31)33-16-23(30)28-19-12-6-5-11-18(19)25(32)26-17-9-3-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,26,32)(H,28,30)
InChIKeyXOLSESBMHBPJSI-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.45
Rot. Bonds8

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (PubChem CID 30263426) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
PubChem CID30263426
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C25H28N4O4/c1-2-22-27-20-13-7-8-14-21(20)29(22)15-24(31)33-16-23(30)28-19-12-6-5-11-18(19)25(32)26-17-9-3-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,26,32)(H,28,30)
InChIKeyXOLSESBMHBPJSI-UHFFFAOYSA-N
XLogP3.45
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30252486
2-[[2-(2-butylbenzimidazol-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 9107555
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 33333737
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (CID 30263426) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is CCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The InChIKey is XOLSESBMHBPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-2-22-27-20-13-7-8-14-21(20)29(22)15-24(31)33-16-23(30)28-19-12-6-5-11-18(19)25(32)26-17-9-3-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,26,32)(H,28,30).
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate has a molecular weight of 448.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 30263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).