2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole

C12H11ClN2 — CID 66771333

IUPAC2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1ccc(C)c(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C12H11ClN2/c1-8-3-4-10(7-11(8)13)9(2)12-14-5-6-15-12/h3-7H,2H2,1H3,(H,14,15)
InChIKeyQBYPSDSVPNYDNO-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.43
Rot. Bonds2

About 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole

2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole (PubChem CID 66771333) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole
PubChem CID66771333
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1ccc(C)c(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C12H11ClN2/c1-8-3-4-10(7-11(8)13)9(2)12-14-5-6-15-12/h3-7H,2H2,1H3,(H,14,15)
InChIKeyQBYPSDSVPNYDNO-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole (CID 66771333) is 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole is C=C(c1ccc(C)c(Cl)c1)c1ncc[nH]1.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole?
The InChIKey is QBYPSDSVPNYDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-8-3-4-10(7-11(8)13)9(2)12-14-5-6-15-12/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole?
2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole has a molecular weight of 218.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 66771333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).