1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole

C9H18N2 — CID 144601763

IUPAC1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole
SMILESCCC(C)N1C=NC(C)C1C
InChIInChI=1S/C9H18N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-9H,5H2,1-4H3
InChIKeyKATIAZYXDQDHEJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds2

About 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole

1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole (PubChem CID 144601763) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole
PubChem CID144601763
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole
SMILESCCC(C)N1C=NC(C)C1C
InChIInChI=1S/C9H18N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-9H,5H2,1-4H3
InChIKeyKATIAZYXDQDHEJ-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole 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 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole (CID 144601763) is 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole is CCC(C)N1C=NC(C)C1C.
What is the InChIKey of 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole?
The InChIKey is KATIAZYXDQDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole?
1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4,5-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 144601763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).