2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

C15H14Br2N2O — CID 4588146

IUPAC2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H14Br2N2O/c1-18-12-5-3-4-6-13(12)19(2)15(18)10-7-9(16)8-11(17)14(10)20/h3-8,15,20H,1-2H3
InChIKeyFYAGUKYURGJSQU-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.50
Rot. Bonds1

About 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (PubChem CID 4588146) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
PubChem CID4588146
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H14Br2N2O/c1-18-12-5-3-4-6-13(12)19(2)15(18)10-7-9(16)8-11(17)14(10)20/h3-8,15,20H,1-2H3
InChIKeyFYAGUKYURGJSQU-UHFFFAOYSA-N
XLogP4.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
CID 776564
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
2-(3,5-dibromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687452
10-benzyl-9-(3,5-dibromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053807
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
1,3-dimethyl-2-(1-phenylpyridin-1-ium-4-yl)-2H-benzimidazole
CID 164545217
1,3-dibromo-9H-fluoren-9-ol
CID 167224981
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
CID 677364
2,4-dibromo-6-(1,2,4-triazol-4-yl)phenol
CID 28643079
3,5,7-tribromo-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 632205
4-(3,5-dibromo-2-hydroxyphenyl)-1-methyl-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinazolin-5-one
CID 110529172

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The IUPAC name of 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (CID 4588146) is 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is CN1c2ccccc2N(C)C1c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The InChIKey is FYAGUKYURGJSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-18-12-5-3-4-6-13(12)19(2)15(18)10-7-9(16)8-11(17)14(10)20/h3-8,15,20H,1-2H3.
What are the key properties of 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol has a molecular weight of 398.10 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 4588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).