2-methyl-1-(4-methylpentyl)imidazole

C10H18N2 — CID 20811797

IUPAC2-methyl-1-(4-methylpentyl)imidazole
SMILESCc1nccn1CCCC(C)C
InChIInChI=1S/C10H18N2/c1-9(2)5-4-7-12-8-6-11-10(12)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyBTJHWMSQITYJNT-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-1-(4-methylpentyl)imidazole

2-methyl-1-(4-methylpentyl)imidazole (PubChem CID 20811797) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpentyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylpentyl)imidazole
PubChem CID20811797
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-1-(4-methylpentyl)imidazole
SMILESCc1nccn1CCCC(C)C
InChIInChI=1S/C10H18N2/c1-9(2)5-4-7-12-8-6-11-10(12)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyBTJHWMSQITYJNT-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(7-methyloctyl)guanidine;hydroiodide
CID 111773389
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
5-(2-methylimidazol-1-yl)-2-propan-2-yloxypentanal
CID 173264788
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpentyl)imidazole?
The IUPAC name of 2-methyl-1-(4-methylpentyl)imidazole (CID 20811797) is 2-methyl-1-(4-methylpentyl)imidazole.
What is the SMILES notation for 2-methyl-1-(4-methylpentyl)imidazole?
The canonical SMILES for 2-methyl-1-(4-methylpentyl)imidazole is Cc1nccn1CCCC(C)C.
What is the InChIKey of 2-methyl-1-(4-methylpentyl)imidazole?
The InChIKey is BTJHWMSQITYJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)5-4-7-12-8-6-11-10(12)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpentyl)imidazole?
2-methyl-1-(4-methylpentyl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpentyl)imidazole is sourced from PubChem (CID 20811797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).