2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole

C28H32N2O2 — CID 18877854

IUPAC2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OC(C)c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C28H32N2O2/c1-19(2)24-14-13-21(4)18-27(24)31-16-15-30-26-12-7-6-11-25(26)29-28(30)22(5)32-23-10-8-9-20(3)17-23/h6-14,17-19,22H,15-16H2,1-5H3
InChIKeyFJAXBASBUNWTEU-UHFFFAOYSA-N
MW428.58 g/mol
LogP7.00
Rot. Bonds8

About 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole

2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 18877854) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID18877854
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OC(C)c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C28H32N2O2/c1-19(2)24-14-13-21(4)18-27(24)31-16-15-30-26-12-7-6-11-25(26)29-28(30)22(5)32-23-10-8-9-20(3)17-23/h6-14,17-19,22H,15-16H2,1-5H3
InChIKeyFJAXBASBUNWTEU-UHFFFAOYSA-N
XLogP7.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007300
2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (CID 18877854) is 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is Cc1cccc(OC(C)c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is FJAXBASBUNWTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-19(2)24-14-13-21(4)18-27(24)31-16-15-30-26-12-7-6-11-25(26)29-28(30)22(5)32-23-10-8-9-20(3)17-23/h6-14,17-19,22H,15-16H2,1-5H3.
What are the key properties of 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 428.58 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 18877854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).