2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol

C15H13ClN2O2 — CID 136813261

IUPAC2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCCn1c(-c2c(O)cccc2O)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O2/c1-2-18-11-7-6-9(16)8-10(11)17-15(18)14-12(19)4-3-5-13(14)20/h3-8,19-20H,2H2,1H3
InChIKeyACKJTFYXSSXYRH-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.79
Rot. Bonds2

About 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol

2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136813261) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
PubChem CID136813261
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCCn1c(-c2c(O)cccc2O)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O2/c1-2-18-11-7-6-9(16)8-10(11)17-15(18)14-12(19)4-3-5-13(14)20/h3-8,19-20H,2H2,1H3
InChIKeyACKJTFYXSSXYRH-UHFFFAOYSA-N
XLogP3.79
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
CID 82810464
5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
CID 136968059
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
3-chloro-2-(5-chloro-1-propylbenzimidazol-2-yl)aniline
CID 63724804
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 63628688

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol (CID 136813261) is 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol is CCn1c(-c2c(O)cccc2O)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is ACKJTFYXSSXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-2-18-11-7-6-9(16)8-10(11)17-15(18)14-12(19)4-3-5-13(14)20/h3-8,19-20H,2H2,1H3.
What are the key properties of 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol?
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 288.73 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136813261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).