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

C16H13ClN2 — CID 5377781

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H13ClN2/c1-19-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3/b11-8+
InChIKeyYUIBZEGEDQMBFQ-DHZHZOJOSA-N
MW268.75 g/mol
LogP4.40
Rot. Bonds2

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

2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole (PubChem CID 5377781) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
PubChem CID5377781
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H13ClN2/c1-19-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3/b11-8+
InChIKeyYUIBZEGEDQMBFQ-DHZHZOJOSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole (CID 5377781) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole is Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
The InChIKey is YUIBZEGEDQMBFQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-19-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3/b11-8+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole?
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole has a molecular weight of 268.75 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole is sourced from PubChem (CID 5377781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).