1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole

C18H20N2O2 — CID 934485

IUPAC1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole
SMILESCC(C)Oc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-14(2)22-16-7-5-6-15(12-16)21-11-10-20-13-19-17-8-3-4-9-18(17)20/h3-9,12-14H,10-11H2,1-2H3
InChIKeyZGHOHCFHIUDTDF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole

1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole (PubChem CID 934485) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole
PubChem CID934485
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole
SMILESCC(C)Oc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-14(2)22-16-7-5-6-15(12-16)21-11-10-20-13-19-17-8-3-4-9-18(17)20/h3-9,12-14H,10-11H2,1-2H3
InChIKeyZGHOHCFHIUDTDF-UHFFFAOYSA-N
XLogP3.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole (CID 934485) is 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole is CC(C)Oc1cccc(OCCn2cnc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole?
The InChIKey is ZGHOHCFHIUDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(2)22-16-7-5-6-15(12-16)21-11-10-20-13-19-17-8-3-4-9-18(17)20/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole?
1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yloxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).