1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole

C20H24N2O2 — CID 16996515

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
SMILESCCOc1ccccc1OCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-4-23-18-11-7-8-12-19(18)24-14-13-22-17-10-6-5-9-16(17)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyNKKQRRSOLXHJHC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.64
Rot. Bonds7

About 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole

1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole (PubChem CID 16996515) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
PubChem CID16996515
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
SMILESCCOc1ccccc1OCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-4-23-18-11-7-8-12-19(18)24-14-13-22-17-10-6-5-9-16(17)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyNKKQRRSOLXHJHC-UHFFFAOYSA-N
XLogP4.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969055
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972884
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16987294

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole (CID 16996515) is 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole is CCOc1ccccc1OCCn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
The InChIKey is NKKQRRSOLXHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-23-18-11-7-8-12-19(18)24-14-13-22-17-10-6-5-9-16(17)21-20(22)15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole?
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole has a molecular weight of 324.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 16996515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).