2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole

C9H11ClN2 — CID 91182600

IUPAC2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole
SMILESC=Cn1c(C)cnc1C=C(C)Cl
InChIInChI=1S/C9H11ClN2/c1-4-12-8(3)6-11-9(12)5-7(2)10/h4-6H,1H2,2-3H3
InChIKeyUEFGUZACNMOGDF-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.89
Rot. Bonds2

About 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole

2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole (PubChem CID 91182600) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole.

Molecular Properties

Compound Name2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole
PubChem CID91182600
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole
SMILESC=Cn1c(C)cnc1C=C(C)Cl
InChIInChI=1S/C9H11ClN2/c1-4-12-8(3)6-11-9(12)5-7(2)10/h4-6H,1H2,2-3H3
InChIKeyUEFGUZACNMOGDF-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
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1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
4-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
CID 12147487
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
5-(chloromethyl)-1-methyl-1H-imidazole hydrochloride
CID 14239696
5-(Chloromethyl)-1-Ethyl-1H-Imidazole Hydrochloride
CID 22938740
1-(1-ethyl-1H-imidazol-5-yl)methanamine dihydrochloride
CID 53398801
2-chloro-1,5-dimethyl-1H-imidazole
CID 60069416
5-ethynyl-1,2-dimethyl-1H-imidazole
CID 88852785
(NE)-N-[(3-methyl-1-prop-2-enylimidazol-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 44283875

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole?
The IUPAC name of 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole (CID 91182600) is 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole.
What is the SMILES notation for 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole?
The canonical SMILES for 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole is C=Cn1c(C)cnc1C=C(C)Cl.
What is the InChIKey of 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole?
The InChIKey is UEFGUZACNMOGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-4-12-8(3)6-11-9(12)5-7(2)10/h4-6H,1H2,2-3H3.
What are the key properties of 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole?
2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole has a molecular weight of 182.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole is sourced from PubChem (CID 91182600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).