1-(4-methylhex-1-en-3-yl)imidazole

C10H16N2 — CID 174521319

IUPAC1-(4-methylhex-1-en-3-yl)imidazole
SMILESC=CC(C(C)CC)n1ccnc1
InChIInChI=1S/C10H16N2/c1-4-9(3)10(5-2)12-7-6-11-8-12/h5-10H,2,4H2,1,3H3
InChIKeyJJCFTOFNLYGYDH-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-methylhex-1-en-3-yl)imidazole

1-(4-methylhex-1-en-3-yl)imidazole (PubChem CID 174521319) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(4-methylhex-1-en-3-yl)imidazole.

Molecular Properties

Compound Name1-(4-methylhex-1-en-3-yl)imidazole
PubChem CID174521319
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(4-methylhex-1-en-3-yl)imidazole
SMILESC=CC(C(C)CC)n1ccnc1
InChIInChI=1S/C10H16N2/c1-4-9(3)10(5-2)12-7-6-11-8-12/h5-10H,2,4H2,1,3H3
InChIKeyJJCFTOFNLYGYDH-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pent-1-en-3-ylimidazole;hydrochloride
CID 175258321
1-hex-5-en-3-ylimidazole
CID 121330081
CID 174987087
CID 174987087
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
boric acid;1-but-3-en-2-ylimidazole
CID 174786632
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-O-ethyl 3-O-prop-2-enyl 2-imidazol-1-ylpropanedioate;hydrochloride
CID 174597253
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-(1-propoxyethyl)imidazole
CID 174521679
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-hexan-3-ylimidazole
CID 54145075

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhex-1-en-3-yl)imidazole?
The IUPAC name of 1-(4-methylhex-1-en-3-yl)imidazole (CID 174521319) is 1-(4-methylhex-1-en-3-yl)imidazole.
What is the SMILES notation for 1-(4-methylhex-1-en-3-yl)imidazole?
The canonical SMILES for 1-(4-methylhex-1-en-3-yl)imidazole is C=CC(C(C)CC)n1ccnc1.
What is the InChIKey of 1-(4-methylhex-1-en-3-yl)imidazole?
The InChIKey is JJCFTOFNLYGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(3)10(5-2)12-7-6-11-8-12/h5-10H,2,4H2,1,3H3.
What are the key properties of 1-(4-methylhex-1-en-3-yl)imidazole?
1-(4-methylhex-1-en-3-yl)imidazole has a molecular weight of 164.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhex-1-en-3-yl)imidazole is sourced from PubChem (CID 174521319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).