2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole

C14H26N2 — CID 126657488

IUPAC2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole
SMILESCCC(C)C(C)Cc1ncc(CC(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-6-11(4)12(5)8-14-15-9-13(16-14)7-10(2)3/h9-12H,6-8H2,1-5H3,(H,15,16)
InChIKeyKKUIIMKKRUEQLS-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.83
Rot. Bonds6

About 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole

2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole (PubChem CID 126657488) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole
PubChem CID126657488
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole
SMILESCCC(C)C(C)Cc1ncc(CC(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-6-11(4)12(5)8-14-15-9-13(16-14)7-10(2)3/h9-12H,6-8H2,1-5H3,(H,15,16)
InChIKeyKKUIIMKKRUEQLS-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole (CID 126657488) is 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole is CCC(C)C(C)Cc1ncc(CC(C)C)[nH]1.
What is the InChIKey of 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole?
The InChIKey is KKUIIMKKRUEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-11(4)12(5)8-14-15-9-13(16-14)7-10(2)3/h9-12H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole?
2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 126657488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).