5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C14H12BrN3O3 — CID 43741346

IUPAC5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3ccc(O)cc3O)cc2[nH]1
InChIInChI=1S/C14H12BrN3O3/c15-9-4-11-12(18-14(21)17-11)5-10(9)16-6-7-1-2-8(19)3-13(7)20/h1-5,16,19-20H,6H2,(H2,17,18,21)
InChIKeyALHXQLORIPEGSC-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43741346) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43741346
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3ccc(O)cc3O)cc2[nH]1
InChIInChI=1S/C14H12BrN3O3/c15-9-4-11-12(18-14(21)17-11)5-10(9)16-6-7-1-2-8(19)3-13(7)20/h1-5,16,19-20H,6H2,(H2,17,18,21)
InChIKeyALHXQLORIPEGSC-UHFFFAOYSA-N
XLogP2.64
TPSA101.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-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-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 114841957
5-bromo-6-[(3,4-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43790101
5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66474217
4-[(2-bromo-4-methyl-5-nitroanilino)methyl]benzene-1,3-diol
CID 104814948
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230523
5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
3-bromo-4-[(2,4-dihydroxyphenyl)methylamino]benzonitrile
CID 43722774
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202
5-bromo-6-(3,3-dimethylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 62952299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 43741346) is 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(NCc3ccc(O)cc3O)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ALHXQLORIPEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-9-4-11-12(18-14(21)17-11)5-10(9)16-6-7-1-2-8(19)3-13(7)20/h1-5,16,19-20H,6H2,(H2,17,18,21).
What are the key properties of 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 350.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43741346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).