1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole

C24H21FN2 — CID 6183360

IUPAC1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCc1cc2nc(/C=C/c3ccccc3)n(Cc3cccc(F)c3)c2cc1C
InChIInChI=1S/C24H21FN2/c1-17-13-22-23(14-18(17)2)27(16-20-9-6-10-21(25)15-20)24(26-22)12-11-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b12-11+
InChIKeyUNJQCZAYSGTECC-VAWYXSNFSA-N
MW356.44 g/mol
LogP6.01
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole

1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 6183360) has the molecular formula C24H21FN2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID6183360
Molecular FormulaC24H21FN2
Molecular Weight356.44 g/mol
Exact Mass356.17
IUPAC Name1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCc1cc2nc(/C=C/c3ccccc3)n(Cc3cccc(F)c3)c2cc1C
InChIInChI=1S/C24H21FN2/c1-17-13-22-23(14-18(17)2)27(16-20-9-6-10-21(25)15-20)24(26-22)12-11-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b12-11+
InChIKeyUNJQCZAYSGTECC-VAWYXSNFSA-N
XLogP6.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole (CID 6183360) is 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole is Cc1cc2nc(/C=C/c3ccccc3)n(Cc3cccc(F)c3)c2cc1C.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is UNJQCZAYSGTECC-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H21FN2/c1-17-13-22-23(14-18(17)2)27(16-20-9-6-10-21(25)15-20)24(26-22)12-11-19-7-4-3-5-8-19/h3-15H,16H2,1-2H3/b12-11+.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole?
1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 356.44 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 6183360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).