1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol

C15H13BrFN3O — CID 62594889

IUPAC1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFN3O/c1-8(21)15-19-12-7-10(18)3-5-14(12)20(15)13-4-2-9(17)6-11(13)16/h2-8,21H,18H2,1H3
InChIKeyYSVYREODVFPWIN-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.56
Rot. Bonds2

About 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol (PubChem CID 62594889) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol
PubChem CID62594889
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFN3O/c1-8(21)15-19-12-7-10(18)3-5-14(12)20(15)13-4-2-9(17)6-11(13)16/h2-8,21H,18H2,1H3
InChIKeyYSVYREODVFPWIN-UHFFFAOYSA-N
XLogP3.56
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.56
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

1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
CID 107603576
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
CID 62596168
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
CID 62594144
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol (CID 62594889) is 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1-c1ccc(F)cc1Br.
What is the InChIKey of 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol?
The InChIKey is YSVYREODVFPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-8(21)15-19-12-7-10(18)3-5-14(12)20(15)13-4-2-9(17)6-11(13)16/h2-8,21H,18H2,1H3.
What are the key properties of 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol has a molecular weight of 350.19 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62594889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).