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

C17H15ClN2O — CID 54158091

IUPAC2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(C=Cc1ccc(Cl)cc1)n2C
InChIInChI=1S/C17H15ClN2O/c1-20-16-9-8-14(21-2)11-15(16)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-11H,1-2H3
InChIKeyOMMDPAQHSBDIJW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.41
Rot. Bonds3

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

2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole (PubChem CID 54158091) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole
PubChem CID54158091
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(C=Cc1ccc(Cl)cc1)n2C
InChIInChI=1S/C17H15ClN2O/c1-20-16-9-8-14(21-2)11-15(16)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-11H,1-2H3
InChIKeyOMMDPAQHSBDIJW-UHFFFAOYSA-N
XLogP4.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole (CID 54158091) is 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole is COc1ccc2c(c1)nc(C=Cc1ccc(Cl)cc1)n2C.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole?
The InChIKey is OMMDPAQHSBDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-20-16-9-8-14(21-2)11-15(16)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-11H,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole?
2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole has a molecular weight of 298.77 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 54158091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).