1-butyl-2,3-dimethyl-2H-imidazole

C9H18N2 — CID 2782664

IUPAC1-butyl-2,3-dimethyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-9H,4-6H2,1-3H3
InChIKeyTYOCDPIZUIQUSO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds3

About 1-butyl-2,3-dimethyl-2H-imidazole

1-butyl-2,3-dimethyl-2H-imidazole (PubChem CID 2782664) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-2H-imidazole
PubChem CID2782664
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butyl-2,3-dimethyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-9H,4-6H2,1-3H3
InChIKeyTYOCDPIZUIQUSO-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-2,3-dimethyl-2H-imidazole 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-butyl-2,3-dimethyl-2H-imidazole?
The IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazole (CID 2782664) is 1-butyl-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for 1-butyl-2,3-dimethyl-2H-imidazole?
The canonical SMILES for 1-butyl-2,3-dimethyl-2H-imidazole is CCCCN1C=CN(C)C1C.
What is the InChIKey of 1-butyl-2,3-dimethyl-2H-imidazole?
The InChIKey is TYOCDPIZUIQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-butyl-2,3-dimethyl-2H-imidazole?
1-butyl-2,3-dimethyl-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 2782664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).