1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole

C9H13ClN2 — CID 106440202

IUPAC1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
SMILESCC(=CCl)Cn1cnc(C)c1C
InChIInChI=1S/C9H13ClN2/c1-7(4-10)5-12-6-11-8(2)9(12)3/h4,6H,5H2,1-3H3
InChIKeyFTECZHNCQJCSJJ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole

1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole (PubChem CID 106440202) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
PubChem CID106440202
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
SMILESCC(=CCl)Cn1cnc(C)c1C
InChIInChI=1S/C9H13ClN2/c1-7(4-10)5-12-6-11-8(2)9(12)3/h4,6H,5H2,1-3H3
InChIKeyFTECZHNCQJCSJJ-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole
CID 95768250
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-(5-chloropentyl)-4,5-dimethylimidazole
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2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
1-butyl-4,5-dimethylimidazole
CID 18671206
2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115616718
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
1-(2-methoxyethyl)-4,5-dimethylimidazole
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3-(4,5-dimethylimidazol-1-yl)propanenitrile
CID 62350561

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole (CID 106440202) is 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole is CC(=CCl)Cn1cnc(C)c1C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole?
The InChIKey is FTECZHNCQJCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7(4-10)5-12-6-11-8(2)9(12)3/h4,6H,5H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole?
1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole has a molecular weight of 184.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole is sourced from PubChem (CID 106440202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).