1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole

C22H22N2OS — CID 17000289

IUPAC1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
SMILESCC(C)c1ccc(OCCn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2OS/c1-16(2)17-9-11-18(12-10-17)25-14-13-24-20-7-4-3-6-19(20)23-22(24)21-8-5-15-26-21/h3-12,15-16H,13-14H2,1-2H3
InChIKeyMIRZGUBIDATJHW-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.97
Rot. Bonds6

About 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole

1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 17000289) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
PubChem CID17000289
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
SMILESCC(C)c1ccc(OCCn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2OS/c1-16(2)17-9-11-18(12-10-17)25-14-13-24-20-7-4-3-6-19(20)23-22(24)21-8-5-15-26-21/h3-12,15-16H,13-14H2,1-2H3
InChIKeyMIRZGUBIDATJHW-UHFFFAOYSA-N
XLogP5.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750
2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17001430
2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 19243406
1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
CID 4230135
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole (CID 17000289) is 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole is CC(C)c1ccc(OCCn2c(-c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is MIRZGUBIDATJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-16(2)17-9-11-18(12-10-17)25-14-13-24-20-7-4-3-6-19(20)23-22(24)21-8-5-15-26-21/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 362.50 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 17000289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).