methyl 1-benzyl-4-methylimidazole-2-carboxylate

C13H14N2O2 — CID 11470254

IUPACmethyl 1-benzyl-4-methylimidazole-2-carboxylate
SMILESCOC(=O)c1nc(C)cn1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-8-15(12(14-10)13(16)17-2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyGACWYVSZDHEQGM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.03
Rot. Bonds3

About methyl 1-benzyl-4-methylimidazole-2-carboxylate

methyl 1-benzyl-4-methylimidazole-2-carboxylate (PubChem CID 11470254) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 1-benzyl-4-methylimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-methylimidazole-2-carboxylate
PubChem CID11470254
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 1-benzyl-4-methylimidazole-2-carboxylate
SMILESCOC(=O)c1nc(C)cn1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-8-15(12(14-10)13(16)17-2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyGACWYVSZDHEQGM-UHFFFAOYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-benzyl-4-methylimidazole-2-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

1-(1-benzyl-4-methylimidazol-2-yl)butane-1,3-dione
CID 175634443
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
CID 175214507
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
CID 154708283
methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
CID 154708456
methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
CID 154708613
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
methyl 1-benzyl-1,2,4-triazole-3-carboxylate
CID 67023628
methyl 1-benzyl-4,5,6,7-tetrahydrobenzimidazole-2-carboxylate
CID 11414560
methyl 3-(1-benzyl-4-methylimidazol-2-yl)-4-oxo-2-phenyl-2,3-dihydro-1H-quinoline-5-carboxylate
CID 67260654
methyl 3-amino-1-benzyl-4-cyanopyrrole-2-carboxylate
CID 23033066
methyl 1-benzyl-6-iminopyridine-3-carboxylate
CID 23470923
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-methylimidazole-2-carboxylate?
The IUPAC name of methyl 1-benzyl-4-methylimidazole-2-carboxylate (CID 11470254) is methyl 1-benzyl-4-methylimidazole-2-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-methylimidazole-2-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-methylimidazole-2-carboxylate is COC(=O)c1nc(C)cn1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-4-methylimidazole-2-carboxylate?
The InChIKey is GACWYVSZDHEQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-8-15(12(14-10)13(16)17-2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 1-benzyl-4-methylimidazole-2-carboxylate?
methyl 1-benzyl-4-methylimidazole-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-methylimidazole-2-carboxylate is sourced from PubChem (CID 11470254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).