5-ethenyl-1-methyl-4-prop-1-enylimidazole

C9H12N2 — CID 123517349

IUPAC5-ethenyl-1-methyl-4-prop-1-enylimidazole
SMILESC=Cc1c(C=CC)ncn1C
InChIInChI=1S/C9H12N2/c1-4-6-8-9(5-2)11(3)7-10-8/h4-7H,2H2,1,3H3
InChIKeyMHMMWQGEYLDZRI-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.10
Rot. Bonds2

About 5-ethenyl-1-methyl-4-prop-1-enylimidazole

5-ethenyl-1-methyl-4-prop-1-enylimidazole (PubChem CID 123517349) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-prop-1-enylimidazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-prop-1-enylimidazole
PubChem CID123517349
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-ethenyl-1-methyl-4-prop-1-enylimidazole
SMILESC=Cc1c(C=CC)ncn1C
InChIInChI=1S/C9H12N2/c1-4-6-8-9(5-2)11(3)7-10-8/h4-7H,2H2,1,3H3
InChIKeyMHMMWQGEYLDZRI-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-1-methyl-4-prop-1-enylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-prop-1-enylimidazole?
The IUPAC name of 5-ethenyl-1-methyl-4-prop-1-enylimidazole (CID 123517349) is 5-ethenyl-1-methyl-4-prop-1-enylimidazole.
What is the SMILES notation for 5-ethenyl-1-methyl-4-prop-1-enylimidazole?
The canonical SMILES for 5-ethenyl-1-methyl-4-prop-1-enylimidazole is C=Cc1c(C=CC)ncn1C.
What is the InChIKey of 5-ethenyl-1-methyl-4-prop-1-enylimidazole?
The InChIKey is MHMMWQGEYLDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-8-9(5-2)11(3)7-10-8/h4-7H,2H2,1,3H3.
What are the key properties of 5-ethenyl-1-methyl-4-prop-1-enylimidazole?
5-ethenyl-1-methyl-4-prop-1-enylimidazole has a molecular weight of 148.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-4-prop-1-enylimidazole is sourced from PubChem (CID 123517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).