3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol

C17H18N2O2 — CID 82809436

IUPAC3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
SMILESCOCCn1c(-c2cccc(O)c2C)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-13(6-5-9-16(12)20)17-18-14-7-3-4-8-15(14)19(17)10-11-21-2/h3-9,20H,10-11H2,1-2H3
InChIKeyTZRCSUJHCITXJW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds4

About 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol

3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol (PubChem CID 82809436) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
PubChem CID82809436
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
SMILESCOCCn1c(-c2cccc(O)c2C)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-13(6-5-9-16(12)20)17-18-14-7-3-4-8-15(14)19(17)10-11-21-2/h3-9,20H,10-11H2,1-2H3
InChIKeyTZRCSUJHCITXJW-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The IUPAC name of 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol (CID 82809436) is 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol.
What is the SMILES notation for 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The canonical SMILES for 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol is COCCn1c(-c2cccc(O)c2C)nc2ccccc21.
What is the InChIKey of 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The InChIKey is TZRCSUJHCITXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-13(6-5-9-16(12)20)17-18-14-7-3-4-8-15(14)19(17)10-11-21-2/h3-9,20H,10-11H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol has a molecular weight of 282.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol is sourced from PubChem (CID 82809436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).