1-butyl-4,5-dimethylimidazole

C9H16N2 — CID 18671206

IUPAC1-butyl-4,5-dimethylimidazole
SMILESCCCCn1cnc(C)c1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-10-8(2)9(11)3/h7H,4-6H2,1-3H3
InChIKeyCNIOVXUZRNOZNF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds3

About 1-butyl-4,5-dimethylimidazole

1-butyl-4,5-dimethylimidazole (PubChem CID 18671206) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-butyl-4,5-dimethylimidazole
PubChem CID18671206
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butyl-4,5-dimethylimidazole
SMILESCCCCn1cnc(C)c1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-10-8(2)9(11)3/h7H,4-6H2,1-3H3
InChIKeyCNIOVXUZRNOZNF-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5-dimethylimidazole?
The IUPAC name of 1-butyl-4,5-dimethylimidazole (CID 18671206) is 1-butyl-4,5-dimethylimidazole.
What is the SMILES notation for 1-butyl-4,5-dimethylimidazole?
The canonical SMILES for 1-butyl-4,5-dimethylimidazole is CCCCn1cnc(C)c1C.
What is the InChIKey of 1-butyl-4,5-dimethylimidazole?
The InChIKey is CNIOVXUZRNOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-11-7-10-8(2)9(11)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-butyl-4,5-dimethylimidazole?
1-butyl-4,5-dimethylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-dimethylimidazole is sourced from PubChem (CID 18671206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).