1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

C24H21FN2O — CID 18878085

IUPAC1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21FN2O/c1-2-9-18-10-4-8-15-23(18)28-17-24-26-21-13-6-7-14-22(21)27(24)16-19-11-3-5-12-20(19)25/h2-8,10-15H,1,9,16-17H2
InChIKeySWKWRABHQPLUCA-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.53
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (PubChem CID 18878085) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
PubChem CID18878085
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21FN2O/c1-2-9-18-10-4-8-15-23(18)28-17-24-26-21-13-6-7-14-22(21)27(24)16-19-11-3-5-12-20(19)25/h2-8,10-15H,1,9,16-17H2
InChIKeySWKWRABHQPLUCA-UHFFFAOYSA-N
XLogP5.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (CID 18878085) is 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is C=CCc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The InChIKey is SWKWRABHQPLUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-2-9-18-10-4-8-15-23(18)28-17-24-26-21-13-6-7-14-22(21)27(24)16-19-11-3-5-12-20(19)25/h2-8,10-15H,1,9,16-17H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole has a molecular weight of 372.44 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).