ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate

C15H16N2O3 — CID 59497633

IUPACethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(n2c(=O)[nH]c3ccccc32)CCC1
InChIInChI=1S/C15H16N2O3/c1-2-20-14(18)10-6-5-9-12(10)17-13-8-4-3-7-11(13)16-15(17)19/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,19)
InChIKeyQUTVFZDECXZTEX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate

ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate (PubChem CID 59497633) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate
PubChem CID59497633
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(n2c(=O)[nH]c3ccccc32)CCC1
InChIInChI=1S/C15H16N2O3/c1-2-20-14(18)10-6-5-9-12(10)17-13-8-4-3-7-11(13)16-15(17)19/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,19)
InChIKeyQUTVFZDECXZTEX-UHFFFAOYSA-N
XLogP2.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate (CID 59497633) is ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate is CCOC(=O)C1=C(n2c(=O)[nH]c3ccccc32)CCC1.
What is the InChIKey of ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate?
The InChIKey is QUTVFZDECXZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-14(18)10-6-5-9-12(10)17-13-8-4-3-7-11(13)16-15(17)19/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,19).
What are the key properties of ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate?
ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3H-benzimidazol-1-yl)cyclopentene-1-carboxylate is sourced from PubChem (CID 59497633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).