ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate

C13H15N3O2 — CID 156748397

IUPACethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ncc(C)cc2C)[nH]1
InChIInChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-15-12(16-10)11-9(3)5-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyXYOAREDOPZLIOS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.27
Rot. Bonds3

About ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate

ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate (PubChem CID 156748397) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
PubChem CID156748397
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ncc(C)cc2C)[nH]1
InChIInChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-15-12(16-10)11-9(3)5-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyXYOAREDOPZLIOS-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-bromo-2-fluorophenyl)-1H-imidazole-5-carboxylate
CID 85472879
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
CID 58344441
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
CID 159011762
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
methyl 2-(3,5-dichloro-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 79779929
ethoxycarbonyloxymethyl 2-methyl-1H-imidazole-5-carboxylate
CID 140986340
[(E)-1,3-dichloro-3-(5-ethoxycarbonyl-1H-imidazol-2-yl)prop-2-enylidene]azanium
CID 164979348
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 123135469
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate (CID 156748397) is ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(-c2ncc(C)cc2C)[nH]1.
What is the InChIKey of ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate?
The InChIKey is XYOAREDOPZLIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-18-13(17)10-7-15-12(16-10)11-9(3)5-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate?
ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 156748397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).