ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate

C13H14N2O3 — CID 116883542

IUPACethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)12-14-8-11(15-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFLEYGGZIVRYGAT-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.26
Rot. Bonds4

About ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate

ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate (PubChem CID 116883542) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
PubChem CID116883542
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)12-14-8-11(15-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFLEYGGZIVRYGAT-UHFFFAOYSA-N
XLogP2.26
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
5-(4-ethoxycarbonylphenyl)-1H-imidazole-2-carboxylic acid
CID 174389731

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate?
The IUPAC name of ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate (CID 116883542) is ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate is CCOC(=O)c1ncc(-c2cccc(OC)c2)[nH]1.
What is the InChIKey of ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate?
The InChIKey is FLEYGGZIVRYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-13(16)12-14-8-11(15-12)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate?
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 116883542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).