5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H8Br2Cl2N2O — CID 63447679

IUPAC5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)c3c(Cl)cccc3Cl)cc2[nH]1
InChIInChI=1S/C14H8Br2Cl2N2O/c15-7-5-11-10(19-14(21)20-11)4-6(7)13(16)12-8(17)2-1-3-9(12)18/h1-5,13H,(H2,19,20,21)
InChIKeyYGVIQBMJSFKBNF-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.41
Rot. Bonds2

About 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 63447679) has the molecular formula C14H8Br2Cl2N2O and a molecular weight of 450.95 g/mol. Its IUPAC name is 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID63447679
Molecular FormulaC14H8Br2Cl2N2O
Molecular Weight450.95 g/mol
Exact Mass447.84
IUPAC Name5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)c3c(Cl)cccc3Cl)cc2[nH]1
InChIInChI=1S/C14H8Br2Cl2N2O/c15-7-5-11-10(19-14(21)20-11)4-6(7)13(16)12-8(17)2-1-3-9(12)18/h1-5,13H,(H2,19,20,21)
InChIKeyYGVIQBMJSFKBNF-UHFFFAOYSA-N
XLogP5.41
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 63447679) is 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(Br)c3c(Cl)cccc3Cl)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YGVIQBMJSFKBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2N2O/c15-7-5-11-10(19-14(21)20-11)4-6(7)13(16)12-8(17)2-1-3-9(12)18/h1-5,13H,(H2,19,20,21).
What are the key properties of 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 450.95 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63447679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).