methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate

C14H16N2O2 — CID 62904204

IUPACmethyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(Cc2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-11(6-10(9)2)7-13-15-8-12(16-13)14(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyBQHUNPIZLUYLRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.40
Rot. Bonds3

About methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate

methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate (PubChem CID 62904204) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
PubChem CID62904204
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(Cc2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-11(6-10(9)2)7-13-15-8-12(16-13)14(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyBQHUNPIZLUYLRE-UHFFFAOYSA-N
XLogP2.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(3,4-dimethylphenyl)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
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
CID 58958507
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
methyl 2-[(2-methylphenyl)sulfanylmethyl]-1H-imidazole-5-carboxylate
CID 66097402
methyl 2-(2,2-dimethylpropyl)-1H-imidazole-5-carboxylate
CID 63891750
methyl 2-(ethylsulfanylmethyl)-1H-imidazole-5-carboxylate
CID 65127873
2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100523269
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
methyl 2-(2-methylpropylsulfanylmethyl)-1H-imidazole-5-carboxylate
CID 65137557
methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide
CID 71117997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate (CID 62904204) is methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate is COC(=O)c1cnc(Cc2ccc(C)c(C)c2)[nH]1.
What is the InChIKey of methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate?
The InChIKey is BQHUNPIZLUYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-5-11(6-10(9)2)7-13-15-8-12(16-13)14(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate?
methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62904204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).