ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate

C17H15N3O2 — CID 44605735

IUPACethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-14(13-9-6-10-18-11-13)19-16(20-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyPFUNLNKCJWLDNP-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate

ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate (PubChem CID 44605735) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
PubChem CID44605735
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-14(13-9-6-10-18-11-13)19-16(20-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyPFUNLNKCJWLDNP-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
CID 44605359
ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
CID 134910208
N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
CID 68635306

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate (CID 44605735) is ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate?
The InChIKey is PFUNLNKCJWLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)15-14(13-9-6-10-18-11-13)19-16(20-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate?
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 44605735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).