2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol

C15H13BrN2O2 — CID 103597094

IUPAC2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrN2O2/c16-11-3-6-13-14(9-11)18-15(17-13)10-1-4-12(5-2-10)20-8-7-19/h1-6,9,19H,7-8H2,(H,17,18)
InChIKeyXVBKCDYORDSKDW-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol

2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol (PubChem CID 103597094) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
PubChem CID103597094
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrN2O2/c16-11-3-6-13-14(9-11)18-15(17-13)10-1-4-12(5-2-10)20-8-7-19/h1-6,9,19H,7-8H2,(H,17,18)
InChIKeyXVBKCDYORDSKDW-UHFFFAOYSA-N
XLogP3.36
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
3-[4-(6-bromo-1H-benzimidazol-2-yl)anilino]propane-1,2-diol
CID 168594918
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
amino-[2-[4-[7-[4-[6-[amino(methylidene)azaniumyl]-1H-benzimidazol-2-yl]phenoxy]heptoxy]phenyl]-3H-benzimidazol-5-yl]-methylideneazanium
CID 132850561
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol (CID 103597094) is 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol is OCCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol?
The InChIKey is XVBKCDYORDSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-3-6-13-14(9-11)18-15(17-13)10-1-4-12(5-2-10)20-8-7-19/h1-6,9,19H,7-8H2,(H,17,18).
What are the key properties of 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol?
2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol has a molecular weight of 333.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol is sourced from PubChem (CID 103597094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).