2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole

C18H17FN2 — CID 5293130

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(/C=C/c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H17FN2/c1-13(2)21-17-6-4-3-5-16(17)20-18(21)12-9-14-7-10-15(19)11-8-14/h3-13H,1-2H3/b12-9+
InChIKeyIQCFMCMCBBQSBV-FMIVXFBMSA-N
MW280.35 g/mol
LogP4.93
Rot. Bonds3

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole

2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole (PubChem CID 5293130) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
PubChem CID5293130
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(/C=C/c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H17FN2/c1-13(2)21-17-6-4-3-5-16(17)20-18(21)12-9-14-7-10-15(19)11-8-14/h3-13H,1-2H3/b12-9+
InChIKeyIQCFMCMCBBQSBV-FMIVXFBMSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.93
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-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole (CID 5293130) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole is CC(C)n1c(/C=C/c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole?
The InChIKey is IQCFMCMCBBQSBV-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13(2)21-17-6-4-3-5-16(17)20-18(21)12-9-14-7-10-15(19)11-8-14/h3-13H,1-2H3/b12-9+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole has a molecular weight of 280.35 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 5293130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).