2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole

C12H10Cl2N2 — CID 10586958

IUPAC2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole
SMILESCn1ccnc1/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-16-7-6-15-12(16)5-3-9-2-4-10(13)8-11(9)14/h2-8H,1H3/b5-3+
InChIKeyHDIOEVDERVDAPO-HWKANZROSA-N
MW253.13 g/mol
LogP3.90
Rot. Bonds2

About 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole

2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole (PubChem CID 10586958) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole
PubChem CID10586958
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole
SMILESCn1ccnc1/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-16-7-6-15-12(16)5-3-9-2-4-10(13)8-11(9)14/h2-8H,1H3/b5-3+
InChIKeyHDIOEVDERVDAPO-HWKANZROSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole?
The IUPAC name of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole (CID 10586958) is 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole.
What is the SMILES notation for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole?
The canonical SMILES for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole is Cn1ccnc1/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole?
The InChIKey is HDIOEVDERVDAPO-HWKANZROSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-16-7-6-15-12(16)5-3-9-2-4-10(13)8-11(9)14/h2-8H,1H3/b5-3+.
What are the key properties of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole?
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole has a molecular weight of 253.13 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole is sourced from PubChem (CID 10586958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).