5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one

C14H8Br2ClFN2O — CID 63447759

IUPAC5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Cl)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C14H8Br2ClFN2O/c15-9-2-1-6(18)3-7(9)13(17)8-4-11-12(5-10(8)16)20-14(21)19-11/h1-5,13H,(H2,19,20,21)
InChIKeyLMXSMBFZEKLJTP-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 63447759) has the molecular formula C14H8Br2ClFN2O and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID63447759
Molecular FormulaC14H8Br2ClFN2O
Molecular Weight434.49 g/mol
Exact Mass431.87
IUPAC Name5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Cl)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C14H8Br2ClFN2O/c15-9-2-1-6(18)3-7(9)13(17)8-4-11-12(5-10(8)16)20-14(21)19-11/h1-5,13H,(H2,19,20,21)
InChIKeyLMXSMBFZEKLJTP-UHFFFAOYSA-N
XLogP4.85
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-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

Related Compounds

5-bromo-6-[chloro-(3,4-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373585
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
6-bromo-7-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433202
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
5-bromo-6-[bromo-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447411
5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81316473
5-bromo-6-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65237904
5-bromo-6-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 79997266
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
5-bromo-6-[bromo-(2-bromo-4-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107991847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one (CID 63447759) is 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(Cl)c3cc(F)ccc3Br)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LMXSMBFZEKLJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFN2O/c15-9-2-1-6(18)3-7(9)13(17)8-4-11-12(5-10(8)16)20-14(21)19-11/h1-5,13H,(H2,19,20,21).
What are the key properties of 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 434.49 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63447759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).