1-(2,2,5-trimethylhexan-3-yl)imidazole

C12H22N2 — CID 91156028

IUPAC1-(2,2,5-trimethylhexan-3-yl)imidazole
SMILESCC(C)CC(n1ccnc1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(2)8-11(12(3,4)5)14-7-6-13-9-14/h6-7,9-11H,8H2,1-5H3
InChIKeySVXQHEBSHASNJB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.52
Rot. Bonds3

About 1-(2,2,5-trimethylhexan-3-yl)imidazole

1-(2,2,5-trimethylhexan-3-yl)imidazole (PubChem CID 91156028) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2,2,5-trimethylhexan-3-yl)imidazole.

Molecular Properties

Compound Name1-(2,2,5-trimethylhexan-3-yl)imidazole
PubChem CID91156028
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2,2,5-trimethylhexan-3-yl)imidazole
SMILESCC(C)CC(n1ccnc1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(2)8-11(12(3,4)5)14-7-6-13-9-14/h6-7,9-11H,8H2,1-5H3
InChIKeySVXQHEBSHASNJB-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-imidazol-1-yl-4-methylpentan-1-ol
CID 10986662
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
5-imidazol-1-ylhexan-3-amine
CID 122542899
N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine
CID 62446817
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 174566783
(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 141169436

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethylhexan-3-yl)imidazole?
The IUPAC name of 1-(2,2,5-trimethylhexan-3-yl)imidazole (CID 91156028) is 1-(2,2,5-trimethylhexan-3-yl)imidazole.
What is the SMILES notation for 1-(2,2,5-trimethylhexan-3-yl)imidazole?
The canonical SMILES for 1-(2,2,5-trimethylhexan-3-yl)imidazole is CC(C)CC(n1ccnc1)C(C)(C)C.
What is the InChIKey of 1-(2,2,5-trimethylhexan-3-yl)imidazole?
The InChIKey is SVXQHEBSHASNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)8-11(12(3,4)5)14-7-6-13-9-14/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 1-(2,2,5-trimethylhexan-3-yl)imidazole?
1-(2,2,5-trimethylhexan-3-yl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethylhexan-3-yl)imidazole is sourced from PubChem (CID 91156028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).