2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole

C18H14Cl2N2 — CID 18878893

IUPAC2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C18H14Cl2N2/c1-2-12-22-17-9-4-3-8-16(17)21-18(22)11-10-13-14(19)6-5-7-15(13)20/h2-11H,1,12H2/b11-10+
InChIKeyMAJDTVHKMUKRCP-ZHACJKMWSA-N
MW329.23 g/mol
LogP5.70
Rot. Bonds4

About 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole

2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole (PubChem CID 18878893) has the molecular formula C18H14Cl2N2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
PubChem CID18878893
Molecular FormulaC18H14Cl2N2
Molecular Weight329.23 g/mol
Exact Mass328.05
IUPAC Name2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C18H14Cl2N2/c1-2-12-22-17-9-4-3-8-16(17)21-18(22)11-10-13-14(19)6-5-7-15(13)20/h2-11H,1,12H2/b11-10+
InChIKeyMAJDTVHKMUKRCP-ZHACJKMWSA-N
XLogP5.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
CID 18878876
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
CID 171151741
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
[1-(2-chlorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 2-chlorobenzoate
CID 2853691
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
N-[(2-chlorophenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342826
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole (CID 18878893) is 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole is C=CCn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole?
The InChIKey is MAJDTVHKMUKRCP-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14Cl2N2/c1-2-12-22-17-9-4-3-8-16(17)21-18(22)11-10-13-14(19)6-5-7-15(13)20/h2-11H,1,12H2/b11-10+.
What are the key properties of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole?
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole has a molecular weight of 329.23 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 18878893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).