4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C10H8BrN3O2 — CID 3505878

IUPAC4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)12-5-8-9(15)14-10(16)13-8/h1-5,15H,(H2,13,14,16)/b12-5+
InChIKeyCVJMNUFRBDAUJV-LFYBBSHMSA-N
MW282.10 g/mol
LogP1.92
Rot. Bonds2

About 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 3505878) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID3505878
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)12-5-8-9(15)14-10(16)13-8/h1-5,15H,(H2,13,14,16)/b12-5+
InChIKeyCVJMNUFRBDAUJV-LFYBBSHMSA-N
XLogP1.92
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 3505878) is 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is CVJMNUFRBDAUJV-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)12-5-8-9(15)14-10(16)13-8/h1-5,15H,(H2,13,14,16)/b12-5+.
What are the key properties of 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 282.10 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)iminomethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 3505878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).