1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole

C24H26N2O2 — CID 17000200

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole
SMILESCC(C)(C)c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2O2/c1-24(2,3)18-11-13-19(14-12-18)27-17-7-15-26-21-9-5-4-8-20(21)25-23(26)22-10-6-16-28-22/h4-6,8-14,16H,7,15,17H2,1-3H3
InChIKeyUYNNCJXAEFVIBA-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.06
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole

1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole (PubChem CID 17000200) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole
PubChem CID17000200
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole
SMILESCC(C)(C)c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2O2/c1-24(2,3)18-11-13-19(14-12-18)27-17-7-15-26-21-9-5-4-8-20(21)25-23(26)22-10-6-16-28-22/h4-6,8-14,16H,7,15,17H2,1-3H3
InChIKeyUYNNCJXAEFVIBA-UHFFFAOYSA-N
XLogP6.06
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
2-benzhydryl-1-[3-(4-tert-butylphenoxy)propyl]benzimidazole
CID 16987281
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879439

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole (CID 17000200) is 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole is CC(C)(C)c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole?
The InChIKey is UYNNCJXAEFVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-24(2,3)18-11-13-19(14-12-18)27-17-7-15-26-21-9-5-4-8-20(21)25-23(26)22-10-6-16-28-22/h4-6,8-14,16H,7,15,17H2,1-3H3.
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole?
1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole has a molecular weight of 374.48 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole is sourced from PubChem (CID 17000200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).