5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole

C16H12Cl2N2 — CID 67635147

IUPAC5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2N2/c1-20-15-8-7-13(18)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-10H,1H3/b9-4+
InChIKeyKDTAGWMTQSFNMU-RUDMXATFSA-N
MW303.19 g/mol
LogP5.05
Rot. Bonds2

About 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole

5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole (PubChem CID 67635147) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
PubChem CID67635147
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2N2/c1-20-15-8-7-13(18)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-10H,1H3/b9-4+
InChIKeyKDTAGWMTQSFNMU-RUDMXATFSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole (CID 67635147) is 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole is Cn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The InChIKey is KDTAGWMTQSFNMU-RUDMXATFSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-20-15-8-7-13(18)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-10H,1H3/b9-4+.
What are the key properties of 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole has a molecular weight of 303.19 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole is sourced from PubChem (CID 67635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).