2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol

C15H13BrN2O2 — CID 136903750

IUPAC2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCCn1c(-c2cc(O)ccc2O)nc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3
InChIKeyLEGAVVNIKFFUHB-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.90
Rot. Bonds2

About 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol

2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136903750) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
PubChem CID136903750
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCCn1c(-c2cc(O)ccc2O)nc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3
InChIKeyLEGAVVNIKFFUHB-UHFFFAOYSA-N
XLogP3.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60785058
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol (CID 136903750) is 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol is CCn1c(-c2cc(O)ccc2O)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is LEGAVVNIKFFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3.
What are the key properties of 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol?
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol has a molecular weight of 333.19 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).