5-methyl-1-(3-methylbutyl)imidazole

C9H16N2 — CID 58133948

IUPAC5-methyl-1-(3-methylbutyl)imidazole
SMILESCc1cncn1CCC(C)C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-11-7-10-6-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyNIRRYTOANJDBAI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds3

About 5-methyl-1-(3-methylbutyl)imidazole

5-methyl-1-(3-methylbutyl)imidazole (PubChem CID 58133948) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name5-methyl-1-(3-methylbutyl)imidazole
PubChem CID58133948
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-methyl-1-(3-methylbutyl)imidazole
SMILESCc1cncn1CCC(C)C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-11-7-10-6-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyNIRRYTOANJDBAI-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbutyl)imidazole?
The IUPAC name of 5-methyl-1-(3-methylbutyl)imidazole (CID 58133948) is 5-methyl-1-(3-methylbutyl)imidazole.
What is the SMILES notation for 5-methyl-1-(3-methylbutyl)imidazole?
The canonical SMILES for 5-methyl-1-(3-methylbutyl)imidazole is Cc1cncn1CCC(C)C.
What is the InChIKey of 5-methyl-1-(3-methylbutyl)imidazole?
The InChIKey is NIRRYTOANJDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)4-5-11-7-10-6-9(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylbutyl)imidazole?
5-methyl-1-(3-methylbutyl)imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbutyl)imidazole is sourced from PubChem (CID 58133948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).