4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol

C17H18N2O3 — CID 135574032

IUPAC4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
SMILESCCn1c(-c2cc(OC)c(O)c(OC)c2)nc2ccccc21
InChIInChI=1S/C17H18N2O3/c1-4-19-13-8-6-5-7-12(13)18-17(19)11-9-14(21-2)16(20)15(10-11)22-3/h5-10,20H,4H2,1-3H3
InChIKeySFIPXXDLTPYCHM-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.45
Rot. Bonds4

About 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol

4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol (PubChem CID 135574032) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
PubChem CID135574032
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
SMILESCCn1c(-c2cc(OC)c(O)c(OC)c2)nc2ccccc21
InChIInChI=1S/C17H18N2O3/c1-4-19-13-8-6-5-7-12(13)18-17(19)11-9-14(21-2)16(20)15(10-11)22-3/h5-10,20H,4H2,1-3H3
InChIKeySFIPXXDLTPYCHM-UHFFFAOYSA-N
XLogP3.45
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704465
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
CID 83128665
1-[(2-iodophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353976
5-(5-isocyano-1-propylbenzimidazol-2-yl)-3-methoxybenzene-1,2-diol
CID 168854483
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
CID 19353933
1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 20930588
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol (CID 135574032) is 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol is CCn1c(-c2cc(OC)c(O)c(OC)c2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol?
The InChIKey is SFIPXXDLTPYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-19-13-8-6-5-7-12(13)18-17(19)11-9-14(21-2)16(20)15(10-11)22-3/h5-10,20H,4H2,1-3H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol?
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol has a molecular weight of 298.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol is sourced from PubChem (CID 135574032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).