1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol

C15H13Br2N3O — CID 107603576

IUPAC1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H13Br2N3O/c1-8(21)15-19-12-7-9(18)5-6-13(12)20(15)14-10(16)3-2-4-11(14)17/h2-8,21H,18H2,1H3
InChIKeyRTVZHVVAWKFMCK-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.19
Rot. Bonds2

About 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol (PubChem CID 107603576) has the molecular formula C15H13Br2N3O and a molecular weight of 411.10 g/mol. Its IUPAC name is 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
PubChem CID107603576
Molecular FormulaC15H13Br2N3O
Molecular Weight411.10 g/mol
Exact Mass408.94
IUPAC Name1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H13Br2N3O/c1-8(21)15-19-12-7-9(18)5-6-13(12)20(15)14-10(16)3-2-4-11(14)17/h2-8,21H,18H2,1H3
InChIKeyRTVZHVVAWKFMCK-UHFFFAOYSA-N
XLogP4.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol (CID 107603576) is 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1-c1c(Br)cccc1Br.
What is the InChIKey of 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol?
The InChIKey is RTVZHVVAWKFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O/c1-8(21)15-19-12-7-9(18)5-6-13(12)20(15)14-10(16)3-2-4-11(14)17/h2-8,21H,18H2,1H3.
What are the key properties of 1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol has a molecular weight of 411.10 g/mol, XLogP of 4.19, 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-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 107603576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).