2-hexan-3-yl-5-methyl-1H-imidazole

C10H18N2 — CID 170149364

IUPAC2-hexan-3-yl-5-methyl-1H-imidazole
SMILESCCCC(CC)c1ncc(C)[nH]1
InChIInChI=1S/C10H18N2/c1-4-6-9(5-2)10-11-7-8(3)12-10/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKBSBIDJURODKAC-UHFFFAOYSA-N
MW166.27 g/mol
LogP3.01
Rot. Bonds4

About 2-hexan-3-yl-5-methyl-1H-imidazole

2-hexan-3-yl-5-methyl-1H-imidazole (PubChem CID 170149364) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-hexan-3-yl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-hexan-3-yl-5-methyl-1H-imidazole
PubChem CID170149364
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-hexan-3-yl-5-methyl-1H-imidazole
SMILESCCCC(CC)c1ncc(C)[nH]1
InChIInChI=1S/C10H18N2/c1-4-6-9(5-2)10-11-7-8(3)12-10/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKBSBIDJURODKAC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
CID 116882841
5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole
CID 123809146
(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
CID 96735034
5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
CID 177226910
2-heptan-4-yl-5-methyl-1H-imidazole;5-methyl-3-(4-prop-1-en-2-ylphenyl)-1H-indole
CID 155701480
CID 175233051
CID 175233051
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
CID 82463512
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
5-methyl-2-pentan-3-ylpyrimidine
CID 91611404
2,5-dimethyl-1H-imidazole;ethanol
CID 175070090
3-hexan-3-yl-2-methylpyridine
CID 143825062

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-5-methyl-1H-imidazole?
The IUPAC name of 2-hexan-3-yl-5-methyl-1H-imidazole (CID 170149364) is 2-hexan-3-yl-5-methyl-1H-imidazole.
What is the SMILES notation for 2-hexan-3-yl-5-methyl-1H-imidazole?
The canonical SMILES for 2-hexan-3-yl-5-methyl-1H-imidazole is CCCC(CC)c1ncc(C)[nH]1.
What is the InChIKey of 2-hexan-3-yl-5-methyl-1H-imidazole?
The InChIKey is KBSBIDJURODKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-9(5-2)10-11-7-8(3)12-10/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-hexan-3-yl-5-methyl-1H-imidazole?
2-hexan-3-yl-5-methyl-1H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-5-methyl-1H-imidazole is sourced from PubChem (CID 170149364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).