ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate

C14H16N2O2 — CID 142922721

IUPACethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccc(C)cc2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)12-9-15-13(16-12)8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyURFCAXBLCSQTDQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate

ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate (PubChem CID 142922721) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
PubChem CID142922721
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccc(C)cc2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)12-9-15-13(16-12)8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyURFCAXBLCSQTDQ-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(4-methylphenyl)methyl]-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

methyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62331146
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
ethyl 2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-5-carboxylate
CID 140986332
methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62904204
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
CID 58344441
[2-[(4-aminophenyl)methyl]-1H-imidazol-5-yl] acetate
CID 174760751
ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 156748397
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
CID 58958507
ethyl 4-[2-(4-methylphenyl)ethyl]-1H-pyrrole-2-carboxylate
CID 57452877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate (CID 142922721) is ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(Cc2ccc(C)cc2)[nH]1.
What is the InChIKey of ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate?
The InChIKey is URFCAXBLCSQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-14(17)12-9-15-13(16-12)8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate?
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 142922721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).