1-butyl-2,4-dimethylimidazole

C9H16N2 — CID 69009415

IUPAC1-butyl-2,4-dimethylimidazole
SMILESCCCCn1cc(C)nc1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3
InChIKeyKDZMZTIERFXHBN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds3

About 1-butyl-2,4-dimethylimidazole

1-butyl-2,4-dimethylimidazole (PubChem CID 69009415) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butyl-2,4-dimethylimidazole.

Molecular Properties

Compound Name1-butyl-2,4-dimethylimidazole
PubChem CID69009415
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butyl-2,4-dimethylimidazole
SMILESCCCCn1cc(C)nc1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3
InChIKeyKDZMZTIERFXHBN-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-2,4-dimethylimidazole?
The IUPAC name of 1-butyl-2,4-dimethylimidazole (CID 69009415) is 1-butyl-2,4-dimethylimidazole.
What is the SMILES notation for 1-butyl-2,4-dimethylimidazole?
The canonical SMILES for 1-butyl-2,4-dimethylimidazole is CCCCn1cc(C)nc1C.
What is the InChIKey of 1-butyl-2,4-dimethylimidazole?
The InChIKey is KDZMZTIERFXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-butyl-2,4-dimethylimidazole?
1-butyl-2,4-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-2,4-dimethylimidazole is sourced from PubChem (CID 69009415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).