1,4-dimethyl-5-prop-1-enylimidazole

C8H12N2 — CID 91298788

IUPAC1,4-dimethyl-5-prop-1-enylimidazole
SMILESCC=Cc1c(C)ncn1C
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)9-6-10(8)3/h4-6H,1-3H3
InChIKeyCNGRRNZMLYFEGC-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds1

About 1,4-dimethyl-5-prop-1-enylimidazole

1,4-dimethyl-5-prop-1-enylimidazole (PubChem CID 91298788) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,4-dimethyl-5-prop-1-enylimidazole.

Molecular Properties

Compound Name1,4-dimethyl-5-prop-1-enylimidazole
PubChem CID91298788
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,4-dimethyl-5-prop-1-enylimidazole
SMILESCC=Cc1c(C)ncn1C
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)9-6-10(8)3/h4-6H,1-3H3
InChIKeyCNGRRNZMLYFEGC-UHFFFAOYSA-N
XLogP1.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-prop-1-enylimidazole?
The IUPAC name of 1,4-dimethyl-5-prop-1-enylimidazole (CID 91298788) is 1,4-dimethyl-5-prop-1-enylimidazole.
What is the SMILES notation for 1,4-dimethyl-5-prop-1-enylimidazole?
The canonical SMILES for 1,4-dimethyl-5-prop-1-enylimidazole is CC=Cc1c(C)ncn1C.
What is the InChIKey of 1,4-dimethyl-5-prop-1-enylimidazole?
The InChIKey is CNGRRNZMLYFEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-8-7(2)9-6-10(8)3/h4-6H,1-3H3.
What are the key properties of 1,4-dimethyl-5-prop-1-enylimidazole?
1,4-dimethyl-5-prop-1-enylimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-prop-1-enylimidazole is sourced from PubChem (CID 91298788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).