3-(2,3-dimethylbutyl)-1,2-dihydroimidazole

C9H18N2 — CID 163670860

IUPAC3-(2,3-dimethylbutyl)-1,2-dihydroimidazole
SMILESCC(C)C(C)CN1C=CNC1
InChIInChI=1S/C9H18N2/c1-8(2)9(3)6-11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyJCKAGWZAPYXLQU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.61
Rot. Bonds3

About 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole

3-(2,3-dimethylbutyl)-1,2-dihydroimidazole (PubChem CID 163670860) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-1,2-dihydroimidazole
PubChem CID163670860
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(2,3-dimethylbutyl)-1,2-dihydroimidazole
SMILESCC(C)C(C)CN1C=CNC1
InChIInChI=1S/C9H18N2/c1-8(2)9(3)6-11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyJCKAGWZAPYXLQU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
1H-Imidazolium, 1-butyl-3-methyl-, chloride
CID 66823030
3-Butyl-1-methyl-1,2-dihydroimidazol-1-ium bromide
CID 164511967
3-Butyl-2-methyl-1,2-dihydroimidazole
CID 17962990
3-Butyl-1,2-dihydroimidazole
CID 18793678
3-(2,3-dimethylbutyl)-1H-imidazol-2-one
CID 21336390
3-Pentyl-1,2-dihydroimidazole
CID 21479082
1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 21917385
1H-Imidazolium, 1-butyl-3-methyl-, iodide
CID 67523477
1-butyl-3-(2-methylpropyl)-2H-imidazole
CID 68780310
3-(2-Methylpropyl)-1,2-dihydroimidazole
CID 69223237
1-(3-methylbutyl)-3-propyl-2H-imidazole
CID 69615839

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole (CID 163670860) is 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole is CC(C)C(C)CN1C=CNC1.
What is the InChIKey of 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole?
The InChIKey is JCKAGWZAPYXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(3)6-11-5-4-10-7-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole?
3-(2,3-dimethylbutyl)-1,2-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-1,2-dihydroimidazole is sourced from PubChem (CID 163670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).