1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole

C22H17FN2 — CID 5293113

IUPAC1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESFc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17FN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+
InChIKeyUGWRCIKJYFXHSD-NTCAYCPXSA-N
MW328.39 g/mol
LogP5.39
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole

1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 5293113) has the molecular formula C22H17FN2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID5293113
Molecular FormulaC22H17FN2
Molecular Weight328.39 g/mol
Exact Mass328.14
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESFc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17FN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+
InChIKeyUGWRCIKJYFXHSD-NTCAYCPXSA-N
XLogP5.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 175670593
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
1-benzyl-5,6-dibromo-2-[(E)-2-phenylethenyl]benzimidazole
CID 163479555

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole (CID 5293113) is 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole is Fc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is UGWRCIKJYFXHSD-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H17FN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 328.39 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 5293113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).