1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole

C18H20N2O2 — CID 91261174

IUPAC1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole
SMILESCOc1cccc(CCOn2c(C)nc3c(C)cccc32)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-4-9-17-18(13)19-14(2)20(17)22-11-10-15-7-5-8-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3
InChIKeyZKGVWWBVLOXRTH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole

1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole (PubChem CID 91261174) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole
PubChem CID91261174
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole
SMILESCOc1cccc(CCOn2c(C)nc3c(C)cccc32)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-4-9-17-18(13)19-14(2)20(17)22-11-10-15-7-5-8-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3
InChIKeyZKGVWWBVLOXRTH-UHFFFAOYSA-N
XLogP3.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24725838
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1-methoxy-3-nonadecylbenzene
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1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
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magnesium;1-methoxy-3-propylbenzene;bromide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole (CID 91261174) is 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole is COc1cccc(CCOn2c(C)nc3c(C)cccc32)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole?
The InChIKey is ZKGVWWBVLOXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-4-9-17-18(13)19-14(2)20(17)22-11-10-15-7-5-8-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole?
1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole is sourced from PubChem (CID 91261174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).