1-methyl-4-(2-methylhexan-2-yl)imidazole

C11H20N2 — CID 129152164

IUPAC1-methyl-4-(2-methylhexan-2-yl)imidazole
SMILESCCCCC(C)(C)c1cn(C)cn1
InChIInChI=1S/C11H20N2/c1-5-6-7-11(2,3)10-8-13(4)9-12-10/h8-9H,5-7H2,1-4H3
InChIKeyPJCYOMJHCXYNMW-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.89
Rot. Bonds4

About 1-methyl-4-(2-methylhexan-2-yl)imidazole

1-methyl-4-(2-methylhexan-2-yl)imidazole (PubChem CID 129152164) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-methyl-4-(2-methylhexan-2-yl)imidazole.

Molecular Properties

Compound Name1-methyl-4-(2-methylhexan-2-yl)imidazole
PubChem CID129152164
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-methyl-4-(2-methylhexan-2-yl)imidazole
SMILESCCCCC(C)(C)c1cn(C)cn1
InChIInChI=1S/C11H20N2/c1-5-6-7-11(2,3)10-8-13(4)9-12-10/h8-9H,5-7H2,1-4H3
InChIKeyPJCYOMJHCXYNMW-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(2-methylhexan-2-yl)imidazole 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-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
CID 174630558
1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole
CID 174706124
3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
CID 129076949
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
tributyl-[(1-methylimidazol-4-yl)methyl]stannane
CID 169086685
1-(2,2-dimethylhexyl)-4-methylimidazole
CID 146669304
4-(2-methylhexan-2-yl)-1H-pyrimidin-6-one
CID 137472121
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
4-(3,3-dimethylbutyl)-1-methylimidazole
CID 59832140
1-methyl-4-propylimidazole
CID 20703275
4-ethyl-1-methylimidazole
CID 20517177
4-dodecan-5-yl-1-methylimidazole
CID 138655717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylhexan-2-yl)imidazole?
The IUPAC name of 1-methyl-4-(2-methylhexan-2-yl)imidazole (CID 129152164) is 1-methyl-4-(2-methylhexan-2-yl)imidazole.
What is the SMILES notation for 1-methyl-4-(2-methylhexan-2-yl)imidazole?
The canonical SMILES for 1-methyl-4-(2-methylhexan-2-yl)imidazole is CCCCC(C)(C)c1cn(C)cn1.
What is the InChIKey of 1-methyl-4-(2-methylhexan-2-yl)imidazole?
The InChIKey is PJCYOMJHCXYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-6-7-11(2,3)10-8-13(4)9-12-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylhexan-2-yl)imidazole?
1-methyl-4-(2-methylhexan-2-yl)imidazole has a molecular weight of 180.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylhexan-2-yl)imidazole is sourced from PubChem (CID 129152164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).