1-chloro-2-methyl-4-prop-2-enylimidazole

C7H9ClN2 — CID 171037461

IUPAC1-chloro-2-methyl-4-prop-2-enylimidazole
SMILESC=CCc1cn(Cl)c(C)n1
InChIInChI=1S/C7H9ClN2/c1-3-4-7-5-10(8)6(2)9-7/h3,5H,1,4H2,2H3
InChIKeyUYVSEECCJNCNIB-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.92
Rot. Bonds2

About 1-chloro-2-methyl-4-prop-2-enylimidazole

1-chloro-2-methyl-4-prop-2-enylimidazole (PubChem CID 171037461) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-prop-2-enylimidazole.

Molecular Properties

Compound Name1-chloro-2-methyl-4-prop-2-enylimidazole
PubChem CID171037461
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-chloro-2-methyl-4-prop-2-enylimidazole
SMILESC=CCc1cn(Cl)c(C)n1
InChIInChI=1S/C7H9ClN2/c1-3-4-7-5-10(8)6(2)9-7/h3,5H,1,4H2,2H3
InChIKeyUYVSEECCJNCNIB-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-prop-2-enylimidazole?
The IUPAC name of 1-chloro-2-methyl-4-prop-2-enylimidazole (CID 171037461) is 1-chloro-2-methyl-4-prop-2-enylimidazole.
What is the SMILES notation for 1-chloro-2-methyl-4-prop-2-enylimidazole?
The canonical SMILES for 1-chloro-2-methyl-4-prop-2-enylimidazole is C=CCc1cn(Cl)c(C)n1.
What is the InChIKey of 1-chloro-2-methyl-4-prop-2-enylimidazole?
The InChIKey is UYVSEECCJNCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-3-4-7-5-10(8)6(2)9-7/h3,5H,1,4H2,2H3.
What are the key properties of 1-chloro-2-methyl-4-prop-2-enylimidazole?
1-chloro-2-methyl-4-prop-2-enylimidazole has a molecular weight of 156.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-prop-2-enylimidazole is sourced from PubChem (CID 171037461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).