2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole

C19H16BrClN2 — CID 67048944

IUPAC2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole
SMILESCCn1cc(-c2ccc(Cl)cc2)nc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2/c1-2-23-13-18(15-6-10-17(21)11-7-15)22-19(23)12-5-14-3-8-16(20)9-4-14/h3-13H,2H2,1H3
InChIKeyCOFTVQKMVMANOD-UHFFFAOYSA-N
MW387.71 g/mol
LogP6.16
Rot. Bonds4

About 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole

2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole (PubChem CID 67048944) has the molecular formula C19H16BrClN2 and a molecular weight of 387.71 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole
PubChem CID67048944
Molecular FormulaC19H16BrClN2
Molecular Weight387.71 g/mol
Exact Mass386.02
IUPAC Name2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole
SMILESCCn1cc(-c2ccc(Cl)cc2)nc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2/c1-2-23-13-18(15-6-10-17(21)11-7-15)22-19(23)12-5-14-3-8-16(20)9-4-14/h3-13H,2H2,1H3
InChIKeyCOFTVQKMVMANOD-UHFFFAOYSA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.71
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole (CID 67048944) is 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole is CCn1cc(-c2ccc(Cl)cc2)nc1C=Cc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole?
The InChIKey is COFTVQKMVMANOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2/c1-2-23-13-18(15-6-10-17(21)11-7-15)22-19(23)12-5-14-3-8-16(20)9-4-14/h3-13H,2H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole?
2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole has a molecular weight of 387.71 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethenyl]-4-(4-chlorophenyl)-1-ethylimidazole is sourced from PubChem (CID 67048944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).