2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole

C14H13ClN2 — CID 145386235

IUPAC2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole
SMILESC=Cn1c(C(=C)Cl)nc(-c2ccccc2)c1C
InChIInChI=1S/C14H13ClN2/c1-4-17-11(3)13(16-14(17)10(2)15)12-8-6-5-7-9-12/h4-9H,1-2H2,3H3
InChIKeyNFYFJNVLUJEIIF-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.17
Rot. Bonds3

About 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole

2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole (PubChem CID 145386235) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole.

Molecular Properties

Compound Name2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole
PubChem CID145386235
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole
SMILESC=Cn1c(C(=C)Cl)nc(-c2ccccc2)c1C
InChIInChI=1S/C14H13ClN2/c1-4-17-11(3)13(16-14(17)10(2)15)12-8-6-5-7-9-12/h4-9H,1-2H2,3H3
InChIKeyNFYFJNVLUJEIIF-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole
CID 145385885
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione
CID 13329295
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-(4-ethenylphenyl)-3,5,6-triphenylpyrazine
CID 58151664
5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one
CID 10880754
1-buta-1,3-dien-2-yl-2,3-dimethyl-5-phenylbenzene
CID 123647651
4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole
CID 15133591

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole?
The IUPAC name of 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole (CID 145386235) is 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole.
What is the SMILES notation for 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole?
The canonical SMILES for 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole is C=Cn1c(C(=C)Cl)nc(-c2ccccc2)c1C.
What is the InChIKey of 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole?
The InChIKey is NFYFJNVLUJEIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-4-17-11(3)13(16-14(17)10(2)15)12-8-6-5-7-9-12/h4-9H,1-2H2,3H3.
What are the key properties of 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole?
2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole has a molecular weight of 244.72 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole is sourced from PubChem (CID 145386235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).