2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol

C15H14BrN3O — CID 63112894

IUPAC2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol
SMILESNc1c(Br)cccc1-c1nc2ccccc2n1CCO
InChIInChI=1S/C15H14BrN3O/c16-11-5-3-4-10(14(11)17)15-18-12-6-1-2-7-13(12)19(15)8-9-20/h1-7,20H,8-9,17H2
InChIKeyOZARRQOZSUILIB-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.04
Rot. Bonds3

About 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol

2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol (PubChem CID 63112894) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol
PubChem CID63112894
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol
SMILESNc1c(Br)cccc1-c1nc2ccccc2n1CCO
InChIInChI=1S/C15H14BrN3O/c16-11-5-3-4-10(14(11)17)15-18-12-6-1-2-7-13(12)19(15)8-9-20/h1-7,20H,8-9,17H2
InChIKeyOZARRQOZSUILIB-UHFFFAOYSA-N
XLogP3.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-bromo-6-(1-propan-2-ylbenzimidazol-2-yl)aniline
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2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
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2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
CID 60980790
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CID 82149276
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
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2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol (CID 63112894) is 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol is Nc1c(Br)cccc1-c1nc2ccccc2n1CCO.
What is the InChIKey of 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol?
The InChIKey is OZARRQOZSUILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-11-5-3-4-10(14(11)17)15-18-12-6-1-2-7-13(12)19(15)8-9-20/h1-7,20H,8-9,17H2.
What are the key properties of 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol?
2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol has a molecular weight of 332.20 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 63112894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).