5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H9Br2ClN2O — CID 81295883

IUPAC5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Br)c3ccc(Br)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C14H9Br2ClN2O/c15-9-3-1-7(5-10(9)17)13(16)8-2-4-11-12(6-8)19-14(20)18-11/h1-6,13H,(H2,18,19,20)
InChIKeyLBGVKGDPHNIONS-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.76
Rot. Bonds2

About 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 81295883) has the molecular formula C14H9Br2ClN2O and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID81295883
Molecular FormulaC14H9Br2ClN2O
Molecular Weight416.50 g/mol
Exact Mass413.88
IUPAC Name5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Br)c3ccc(Br)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C14H9Br2ClN2O/c15-9-3-1-7(5-10(9)17)13(16)8-2-4-11-12(6-8)19-14(20)18-11/h1-6,13H,(H2,18,19,20)
InChIKeyLBGVKGDPHNIONS-UHFFFAOYSA-N
XLogP4.76
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096512
5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096909
5-bromo-6-[bromo-(3-chloro-4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103211087
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61097913
5-[chloro-(3,5-dibromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107980822
5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dihydrobenzimidazol-2-one
CID 103310702
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[1-(2,5-dibromoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43736606
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 81295883) is 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(Br)c3ccc(Br)c(Cl)c3)cc2[nH]1.
What is the InChIKey of 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LBGVKGDPHNIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClN2O/c15-9-3-1-7(5-10(9)17)13(16)8-2-4-11-12(6-8)19-14(20)18-11/h1-6,13H,(H2,18,19,20).
What are the key properties of 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 416.50 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-bromo-3-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 81295883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).