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

C26H27FN2O — CID 19243170

IUPAC2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C26H27FN2O/c1-19(2)22-9-3-6-12-25(22)30-18-8-7-17-29-24-11-5-4-10-23(24)28-26(29)20-13-15-21(27)16-14-20/h3-6,9-16,19H,7-8,17-18H2,1-2H3
InChIKeyXDKXZTIVJASPMR-UHFFFAOYSA-N
MW402.51 g/mol
LogP6.82
Rot. Bonds8

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

2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole (PubChem CID 19243170) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
PubChem CID19243170
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C26H27FN2O/c1-19(2)22-9-3-6-12-25(22)30-18-8-7-17-29-24-11-5-4-10-23(24)28-26(29)20-13-15-21(27)16-14-20/h3-6,9-16,19H,7-8,17-18H2,1-2H3
InChIKeyXDKXZTIVJASPMR-UHFFFAOYSA-N
XLogP6.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 56.82
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

1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16987294
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
2-benzyl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16995610

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole (CID 19243170) is 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole is CC(C)c1ccccc1OCCCCn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The InChIKey is XDKXZTIVJASPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c1-19(2)22-9-3-6-12-25(22)30-18-8-7-17-29-24-11-5-4-10-23(24)28-26(29)20-13-15-21(27)16-14-20/h3-6,9-16,19H,7-8,17-18H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole has a molecular weight of 402.51 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 19243170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).