3-butyl-5-hexyl-1,2-dihydroimidazole

C13H26N2 — CID 69020260

IUPAC3-butyl-5-hexyl-1,2-dihydroimidazole
SMILESCCCCCCC1=CN(CCCC)CN1
InChIInChI=1S/C13H26N2/c1-3-5-7-8-9-13-11-15(12-14-13)10-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyKSHQFBCNHYKKGT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.46
Rot. Bonds8

About 3-butyl-5-hexyl-1,2-dihydroimidazole

3-butyl-5-hexyl-1,2-dihydroimidazole (PubChem CID 69020260) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-butyl-5-hexyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-butyl-5-hexyl-1,2-dihydroimidazole
PubChem CID69020260
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-butyl-5-hexyl-1,2-dihydroimidazole
SMILESCCCCCCC1=CN(CCCC)CN1
InChIInChI=1S/C13H26N2/c1-3-5-7-8-9-13-11-15(12-14-13)10-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyKSHQFBCNHYKKGT-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butyl-5-hexyl-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

4-Hexyl-4-imidazolin-2-one
CID 14572724
3-butyl-5-pentyl-1H-imidazol-2-one
CID 18384587
N-hexyl-4-methyl-2,3-dihydro-1H-imidazol-2-amine
CID 20346436
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
3-hexyl-5-propyl-1H-imidazole-2-thione
CID 23319748
2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine
CID 66716539
3-(1,3-dimethyl-2H-imidazol-4-yl)propan-1-amine
CID 66716913
3-Butyl-5-methyl-1,2-dihydroimidazole
CID 66752008
4-butyl-3-methyl-2-methylidene-1H-imidazole
CID 69014805
4-Butyl-3-methyl-1,2-dihydroimidazole
CID 69998566
4-heptyl-3-methyl-1H-imidazol-2-one
CID 70428857
3,5-dipentyl-1H-imidazol-2-one
CID 71295723

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-hexyl-1,2-dihydroimidazole?
The IUPAC name of 3-butyl-5-hexyl-1,2-dihydroimidazole (CID 69020260) is 3-butyl-5-hexyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-butyl-5-hexyl-1,2-dihydroimidazole?
The canonical SMILES for 3-butyl-5-hexyl-1,2-dihydroimidazole is CCCCCCC1=CN(CCCC)CN1.
What is the InChIKey of 3-butyl-5-hexyl-1,2-dihydroimidazole?
The InChIKey is KSHQFBCNHYKKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-7-8-9-13-11-15(12-14-13)10-6-4-2/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 3-butyl-5-hexyl-1,2-dihydroimidazole?
3-butyl-5-hexyl-1,2-dihydroimidazole has a molecular weight of 210.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-hexyl-1,2-dihydroimidazole is sourced from PubChem (CID 69020260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).