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

C21H26N2O — CID 16996412

IUPAC2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H26N2O/c1-5-21-22-18-8-6-7-9-19(18)23(21)12-13-24-20-14-16(4)10-11-17(20)15(2)3/h6-11,14-15H,5,12-13H2,1-4H3
InChIKeyKLGNRAUJOPVHMQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.11
Rot. Bonds6

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

2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 16996412) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID16996412
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H26N2O/c1-5-21-22-18-8-6-7-9-19(18)23(21)12-13-24-20-14-16(4)10-11-17(20)15(2)3/h6-11,14-15H,5,12-13H2,1-4H3
InChIKeyKLGNRAUJOPVHMQ-UHFFFAOYSA-N
XLogP5.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007300
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988513
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 18877854
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (CID 16996412) is 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is CCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is KLGNRAUJOPVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-5-21-22-18-8-6-7-9-19(18)23(21)12-13-24-20-14-16(4)10-11-17(20)15(2)3/h6-11,14-15H,5,12-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 322.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16996412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).