2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole

C25H25FN2O — CID 19243406

IUPAC2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCC(C)c1ccc(OCCCn2c(-c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-18(2)19-12-14-20(15-13-19)29-17-7-16-28-24-11-6-5-10-23(24)27-25(28)21-8-3-4-9-22(21)26/h3-6,8-15,18H,7,16-17H2,1-2H3
InChIKeyCAWYWKQQZQUPMD-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.43
Rot. Bonds7

About 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole

2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole (PubChem CID 19243406) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
PubChem CID19243406
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCC(C)c1ccc(OCCCn2c(-c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-18(2)19-12-14-20(15-13-19)29-17-7-16-28-24-11-6-5-10-23(24)27-25(28)21-8-3-4-9-22(21)26/h3-6,8-15,18H,7,16-17H2,1-2H3
InChIKeyCAWYWKQQZQUPMD-UHFFFAOYSA-N
XLogP6.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
CID 16996717
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole (CID 19243406) is 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole is CC(C)c1ccc(OCCCn2c(-c3ccccc3F)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole?
The InChIKey is CAWYWKQQZQUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-18(2)19-12-14-20(15-13-19)29-17-7-16-28-24-11-6-5-10-23(24)27-25(28)21-8-3-4-9-22(21)26/h3-6,8-15,18H,7,16-17H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole?
2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole has a molecular weight of 388.49 g/mol, XLogP of 6.43, 7 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-(4-propan-2-ylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 19243406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).