2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol

C15H14N2O2 — CID 136813316

IUPAC2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESCCc1ccc2nc(-c3c(O)cccc3O)[nH]c2c1
InChIInChI=1S/C15H14N2O2/c1-2-9-6-7-10-11(8-9)17-15(16-10)14-12(18)4-3-5-13(14)19/h3-8,18-19H,2H2,1H3,(H,16,17)
InChIKeyUEAWOBGTJQMSBZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.20
Rot. Bonds2

About 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol

2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136813316) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID136813316
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESCCc1ccc2nc(-c3c(O)cccc3O)[nH]c2c1
InChIInChI=1S/C15H14N2O2/c1-2-9-6-7-10-11(8-9)17-15(16-10)14-12(18)4-3-5-13(14)19/h3-8,18-19H,2H2,1H3,(H,16,17)
InChIKeyUEAWOBGTJQMSBZ-UHFFFAOYSA-N
XLogP3.20
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
CID 136959757
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664
methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 136663206
6-ethyl-2-(5-heptyl-2-pyridinyl)-1H-benzimidazole
CID 142677705
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
CID 84756442
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol (CID 136813316) is 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol is CCc1ccc2nc(-c3c(O)cccc3O)[nH]c2c1.
What is the InChIKey of 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is UEAWOBGTJQMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-9-6-7-10-11(8-9)17-15(16-10)14-12(18)4-3-5-13(14)19/h3-8,18-19H,2H2,1H3,(H,16,17).
What are the key properties of 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 254.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136813316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).