4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol

C17H18N2O2 — CID 136751423

IUPAC4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
SMILESCOCCn1c(-c2ccc(O)c(C)c2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-11-13(7-8-16(12)20)17-18-14-5-3-4-6-15(14)19(17)9-10-21-2/h3-8,11,20H,9-10H2,1-2H3
InChIKeyDNPOGNFWOCWZOY-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds4

About 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol

4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol (PubChem CID 136751423) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
PubChem CID136751423
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
SMILESCOCCn1c(-c2ccc(O)c(C)c2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-11-13(7-8-16(12)20)17-18-14-5-3-4-6-15(14)19(17)9-10-21-2/h3-8,11,20H,9-10H2,1-2H3
InChIKeyDNPOGNFWOCWZOY-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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Related Compounds

2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136885883
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 82809436
2-[3-(chloromethyl)phenyl]-1-(2-methoxyethyl)benzimidazole
CID 62388285
4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole
CID 47052836
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol (CID 136751423) is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The canonical SMILES for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol is COCCn1c(-c2ccc(O)c(C)c2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
The InChIKey is DNPOGNFWOCWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-11-13(7-8-16(12)20)17-18-14-5-3-4-6-15(14)19(17)9-10-21-2/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol?
4-[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 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol is sourced from PubChem (CID 136751423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).