2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole

C20H24N2O — CID 16996424

IUPAC2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-4-20-21-18-7-5-6-8-19(18)22(20)13-14-23-17-11-9-16(10-12-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyRQWBZLCWNFQHPC-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.80
Rot. Bonds6

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

2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 16996424) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID16996424
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-4-20-21-18-7-5-6-8-19(18)22(20)13-14-23-17-11-9-16(10-12-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyRQWBZLCWNFQHPC-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16980575
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217
3-bromo-N-[[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008118
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (CID 16996424) is 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole is CCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is RQWBZLCWNFQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-20-21-18-7-5-6-8-19(18)22(20)13-14-23-17-11-9-16(10-12-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.80, 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-(4-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16996424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).