2-butyl-5-methyl-4,5-dihydro-1H-imidazole

C8H16N2 — CID 101322776

IUPAC2-butyl-5-methyl-4,5-dihydro-1H-imidazole
SMILESCCCCC1=NCC(C)N1
InChIInChI=1S/C8H16N2/c1-3-4-5-8-9-6-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWEBLRCHORVSUKM-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds3

About 2-butyl-5-methyl-4,5-dihydro-1H-imidazole

2-butyl-5-methyl-4,5-dihydro-1H-imidazole (PubChem CID 101322776) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-butyl-5-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-methyl-4,5-dihydro-1H-imidazole
PubChem CID101322776
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-butyl-5-methyl-4,5-dihydro-1H-imidazole
SMILESCCCCC1=NCC(C)N1
InChIInChI=1S/C8H16N2/c1-3-4-5-8-9-6-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWEBLRCHORVSUKM-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-5-methyl-4,5-dihydro-1H-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 2-butyl-5-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-butyl-5-methyl-4,5-dihydro-1H-imidazole (CID 101322776) is 2-butyl-5-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-butyl-5-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-butyl-5-methyl-4,5-dihydro-1H-imidazole is CCCCC1=NCC(C)N1.
What is the InChIKey of 2-butyl-5-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is WEBLRCHORVSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-8-9-6-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-butyl-5-methyl-4,5-dihydro-1H-imidazole?
2-butyl-5-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 101322776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).