2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole

C16H13FN2 — CID 2930485

IUPAC2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(C=Cc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H13FN2/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
InChIKeyNTMIFJQTQJEULT-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.88
Rot. Bonds2

About 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole

2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole (PubChem CID 2930485) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
PubChem CID2930485
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
SMILESCn1c(C=Cc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H13FN2/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
InChIKeyNTMIFJQTQJEULT-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole (CID 2930485) is 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole is Cn1c(C=Cc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole?
The InChIKey is NTMIFJQTQJEULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/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.
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole?
2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole has a molecular weight of 252.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole is sourced from PubChem (CID 2930485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).