propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate

C11H12N2O3 — CID 22745349

IUPACpropyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
SMILESCCCOC(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C11H12N2O3/c1-2-6-16-10(14)7-4-3-5-8-9(7)13-11(15)12-8/h3-5H,2,6H2,1H3,(H2,12,13,15)
InChIKeyXZVOAMIBCCAEDS-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.42
Rot. Bonds3

About propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate

propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate (PubChem CID 22745349) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
PubChem CID22745349
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namepropyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
SMILESCCCOC(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C11H12N2O3/c1-2-6-16-10(14)7-4-3-5-8-9(7)13-11(15)12-8/h3-5H,2,6H2,1H3,(H2,12,13,15)
InChIKeyXZVOAMIBCCAEDS-UHFFFAOYSA-N
XLogP1.42
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate
CID 117339913
2,3-bis(propoxycarbonyl)benzoic acid
CID 91156488
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
propyl 2-methylbenzoate
CID 23432654
triicosyl benzene-1,2,3-tricarboxylate
CID 90768714
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
ethane;propyl 2-bromobenzoate
CID 90697369
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179

Frequently Asked Questions

What is the IUPAC name of propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate?
The IUPAC name of propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate (CID 22745349) is propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate.
What is the SMILES notation for propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate?
The canonical SMILES for propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate is CCCOC(=O)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate?
The InChIKey is XZVOAMIBCCAEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-6-16-10(14)7-4-3-5-8-9(7)13-11(15)12-8/h3-5H,2,6H2,1H3,(H2,12,13,15).
What are the key properties of propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate?
propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate is sourced from PubChem (CID 22745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).