methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate

C12H20N2O2 — CID 65171561

IUPACmethyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
SMILESCCCC(C)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C12H20N2O2/c1-5-6-9(2)8-14-10(3)13-7-11(14)12(15)16-4/h7,9H,5-6,8H2,1-4H3
InChIKeyOQIPQUVPERENRX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds5

About methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate

methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate (PubChem CID 65171561) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
PubChem CID65171561
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
SMILESCCCC(C)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C12H20N2O2/c1-5-6-9(2)8-14-10(3)13-7-11(14)12(15)16-4/h7,9H,5-6,8H2,1-4H3
InChIKeyOQIPQUVPERENRX-UHFFFAOYSA-N
XLogP2.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate (CID 65171561) is methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate is CCCC(C)Cn1c(C(=O)OC)cnc1C.
What is the InChIKey of methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate?
The InChIKey is OQIPQUVPERENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-6-9(2)8-14-10(3)13-7-11(14)12(15)16-4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate?
methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate is sourced from PubChem (CID 65171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).