2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

C25H23FN2O — CID 19243390

IUPAC2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C25H23FN2O/c1-2-10-19-11-3-8-16-24(19)29-18-9-17-28-23-15-7-6-14-22(23)27-25(28)20-12-4-5-13-21(20)26/h2-8,11-16H,1,9-10,17-18H2
InChIKeyFKDLRDAZTSDYPH-UHFFFAOYSA-N
MW386.47 g/mol
LogP6.04
Rot. Bonds8

About 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (PubChem CID 19243390) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
PubChem CID19243390
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C25H23FN2O/c1-2-10-19-11-3-8-16-24(19)29-18-9-17-28-23-15-7-6-14-22(23)27-25(28)20-12-4-5-13-21(20)26/h2-8,11-16H,1,9-10,17-18H2
InChIKeyFKDLRDAZTSDYPH-UHFFFAOYSA-N
XLogP6.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 17000165
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16987427
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 19243406
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885072

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (CID 19243390) is 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is C=CCc1ccccc1OCCCn1c(-c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The InChIKey is FKDLRDAZTSDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c1-2-10-19-11-3-8-16-24(19)29-18-9-17-28-23-15-7-6-14-22(23)27-25(28)20-12-4-5-13-21(20)26/h2-8,11-16H,1,9-10,17-18H2.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole has a molecular weight of 386.47 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 19243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).