1-methyl-2-(3-methylbutyl)imidazole

C9H16N2 — CID 68983412

IUPAC1-methyl-2-(3-methylbutyl)imidazole
SMILESCC(C)CCc1nccn1C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3
InChIKeyDBDQGIUBSAXFQO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.01
Rot. Bonds3

About 1-methyl-2-(3-methylbutyl)imidazole

1-methyl-2-(3-methylbutyl)imidazole (PubChem CID 68983412) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-2-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(3-methylbutyl)imidazole
PubChem CID68983412
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-2-(3-methylbutyl)imidazole
SMILESCC(C)CCc1nccn1C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3
InChIKeyDBDQGIUBSAXFQO-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(3-methylbutyl)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

N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
N,4-dimethyl-6-(1-methylimidazol-2-yl)hexan-2-amine
CID 114532144
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylbutyl)imidazole?
The IUPAC name of 1-methyl-2-(3-methylbutyl)imidazole (CID 68983412) is 1-methyl-2-(3-methylbutyl)imidazole.
What is the SMILES notation for 1-methyl-2-(3-methylbutyl)imidazole?
The canonical SMILES for 1-methyl-2-(3-methylbutyl)imidazole is CC(C)CCc1nccn1C.
What is the InChIKey of 1-methyl-2-(3-methylbutyl)imidazole?
The InChIKey is DBDQGIUBSAXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)4-5-9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-2-(3-methylbutyl)imidazole?
1-methyl-2-(3-methylbutyl)imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylbutyl)imidazole is sourced from PubChem (CID 68983412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).