3-butyl-4-methyl-2,4-dihydroimidazole

C8H16N2 — CID 90866079

IUPAC3-butyl-4-methyl-2,4-dihydroimidazole
SMILESCCCCN1CN=CC1C
InChIInChI=1S/C8H16N2/c1-3-4-5-10-7-9-6-8(10)2/h6,8H,3-5,7H2,1-2H3
InChIKeyXUQGGWUBSHWSLP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds3

About 3-butyl-4-methyl-2,4-dihydroimidazole

3-butyl-4-methyl-2,4-dihydroimidazole (PubChem CID 90866079) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-butyl-4-methyl-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-butyl-4-methyl-2,4-dihydroimidazole
PubChem CID90866079
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-butyl-4-methyl-2,4-dihydroimidazole
SMILESCCCCN1CN=CC1C
InChIInChI=1S/C8H16N2/c1-3-4-5-10-7-9-6-8(10)2/h6,8H,3-5,7H2,1-2H3
InChIKeyXUQGGWUBSHWSLP-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-2,4-dihydroimidazole?
The IUPAC name of 3-butyl-4-methyl-2,4-dihydroimidazole (CID 90866079) is 3-butyl-4-methyl-2,4-dihydroimidazole.
What is the SMILES notation for 3-butyl-4-methyl-2,4-dihydroimidazole?
The canonical SMILES for 3-butyl-4-methyl-2,4-dihydroimidazole is CCCCN1CN=CC1C.
What is the InChIKey of 3-butyl-4-methyl-2,4-dihydroimidazole?
The InChIKey is XUQGGWUBSHWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-10-7-9-6-8(10)2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-2,4-dihydroimidazole?
3-butyl-4-methyl-2,4-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-2,4-dihydroimidazole is sourced from PubChem (CID 90866079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).