2-(2-methylhexan-2-yl)-1H-imidazole

C10H18N2 — CID 68747349

IUPAC2-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1ncc[nH]1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-11-7-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyBZXXTTURFNUZII-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-methylhexan-2-yl)-1H-imidazole

2-(2-methylhexan-2-yl)-1H-imidazole (PubChem CID 68747349) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(2-methylhexan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylhexan-2-yl)-1H-imidazole
PubChem CID68747349
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1ncc[nH]1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-11-7-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyBZXXTTURFNUZII-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
1-[5-(1H-imidazol-2-yl)-5-methylhexan-2-yl]imidazole
CID 170206591
2-(1H-imidazol-2-yl)-2-methoxypentanamide
CID 140540842
1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
CID 91811687
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
2-butyl-1H-imidazole;hydrochloride
CID 141134528
4-(2-methylhexan-2-yl)-1H-pyrimidin-6-one
CID 137472121
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhexan-2-yl)-1H-imidazole?
The IUPAC name of 2-(2-methylhexan-2-yl)-1H-imidazole (CID 68747349) is 2-(2-methylhexan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-methylhexan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(2-methylhexan-2-yl)-1H-imidazole is CCCCC(C)(C)c1ncc[nH]1.
What is the InChIKey of 2-(2-methylhexan-2-yl)-1H-imidazole?
The InChIKey is BZXXTTURFNUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-10(2,3)9-11-7-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-methylhexan-2-yl)-1H-imidazole?
2-(2-methylhexan-2-yl)-1H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhexan-2-yl)-1H-imidazole is sourced from PubChem (CID 68747349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).