1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole

C24H26N2OS — CID 19242958

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCC(C)(C)c1ccc(OCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-24(2,3)18-10-12-19(13-11-18)27-15-14-26-22-9-5-4-8-21(22)25-23(26)17-20-7-6-16-28-20/h4-13,16H,14-15,17H2,1-3H3
InChIKeyFNNHJSSPYOTHPJ-UHFFFAOYSA-N
MW390.55 g/mol
LogP6.07
Rot. Bonds6

About 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole

1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19242958) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19242958
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCC(C)(C)c1ccc(OCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-24(2,3)18-10-12-19(13-11-18)27-15-14-26-22-9-5-4-8-21(22)25-23(26)17-20-7-6-16-28-20/h4-13,16H,14-15,17H2,1-3H3
InChIKeyFNNHJSSPYOTHPJ-UHFFFAOYSA-N
XLogP6.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987415
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole (CID 19242958) is 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole is CC(C)(C)c1ccc(OCCn2c(Cc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is FNNHJSSPYOTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-24(2,3)18-10-12-19(13-11-18)27-15-14-26-22-9-5-4-8-21(22)25-23(26)17-20-7-6-16-28-20/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole?
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 390.55 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19242958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).