3-(4-methylpentan-2-yl)-1,2-dihydroimidazole

C9H18N2 — CID 137395376

IUPAC3-(4-methylpentan-2-yl)-1,2-dihydroimidazole
SMILESCC(C)CC(C)N1C=CNC1
InChIInChI=1S/C9H18N2/c1-8(2)6-9(3)11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyKKXJTUXYKVNQLR-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds3

About 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole

3-(4-methylpentan-2-yl)-1,2-dihydroimidazole (PubChem CID 137395376) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(4-methylpentan-2-yl)-1,2-dihydroimidazole
PubChem CID137395376
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(4-methylpentan-2-yl)-1,2-dihydroimidazole
SMILESCC(C)CC(C)N1C=CNC1
InChIInChI=1S/C9H18N2/c1-8(2)6-9(3)11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyKKXJTUXYKVNQLR-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole 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

3-Butan-2-yl-1-methyl-1,2-dihydroimidazol-1-ium
CID 57828710
3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole
CID 66756928
1-(3-methylbutyl)-3-propan-2-yl-2H-imidazole
CID 69615834
1-(2-methylbutyl)-3-propan-2-yl-2H-imidazole
CID 69615891
3-(3-Methylbutyl)-1,2-dihydroimidazole
CID 69984701
3-(4-Methylhexyl)-1,2-dihydroimidazole
CID 90687471
2,4-dimethyl-4-(3-methyl-2H-imidazol-1-yl)pentan-2-amine
CID 118227678
3-(5,5-Dimethylhexan-3-yl)-1,2-dihydroimidazole
CID 132034958
2,3-Di(propan-2-yl)-1,2-dihydroimidazole
CID 145751251
2-Methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
CID 146490523
3-(4-Methylpentyl)-1,2-dihydroimidazole
CID 162769979
3-(2,3-Dimethylbutyl)-1,2-dihydroimidazole
CID 163670860

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole?
The IUPAC name of 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole (CID 137395376) is 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole is CC(C)CC(C)N1C=CNC1.
What is the InChIKey of 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole?
The InChIKey is KKXJTUXYKVNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)6-9(3)11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole?
3-(4-methylpentan-2-yl)-1,2-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yl)-1,2-dihydroimidazole is sourced from PubChem (CID 137395376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).