ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate

C14H14N2O3 — CID 135452099

IUPACethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate
SMILESCCOC(=O)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)12-11(17)7-8-16-10-6-4-3-5-9(10)15-13(12)16/h3-6,17H,2,7-8H2,1H3
InChIKeyYDNONGLJXOUWAY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.27
Rot. Bonds2

About ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate

ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate (PubChem CID 135452099) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate
PubChem CID135452099
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate
SMILESCCOC(=O)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)12-11(17)7-8-16-10-6-4-3-5-9(10)15-13(12)16/h3-6,17H,2,7-8H2,1H3
InChIKeyYDNONGLJXOUWAY-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate (CID 135452099) is ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate is CCOC(=O)C1=C(O)CCn2c1nc1ccccc12.
What is the InChIKey of ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate?
The InChIKey is YDNONGLJXOUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14(18)12-11(17)7-8-16-10-6-4-3-5-9(10)15-13(12)16/h3-6,17H,2,7-8H2,1H3.
What are the key properties of ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate?
ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxylate is sourced from PubChem (CID 135452099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).