5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C15H12IN3O2 — CID 4056938

IUPAC5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(I)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O
InChIInChI=1S/C15H12IN3O2/c1-8-4-10(16)5-9(14(8)20)7-17-11-2-3-12-13(6-11)19-15(21)18-12/h2-7,20H,1H3,(H2,18,19,21)/b17-7+
InChIKeyPWLNSPFZXGEEOR-REZTVBANSA-N
MW393.18 g/mol
LogP3.23
Rot. Bonds2

About 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 4056938) has the molecular formula C15H12IN3O2 and a molecular weight of 393.18 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID4056938
Molecular FormulaC15H12IN3O2
Molecular Weight393.18 g/mol
Exact Mass393.00
IUPAC Name5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(I)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O
InChIInChI=1S/C15H12IN3O2/c1-8-4-10(16)5-9(14(8)20)7-17-11-2-3-12-13(6-11)19-15(21)18-12/h2-7,20H,1H3,(H2,18,19,21)/b17-7+
InChIKeyPWLNSPFZXGEEOR-REZTVBANSA-N
XLogP3.23
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.18
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-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-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 4056938) is 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(I)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O.
What is the InChIKey of 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PWLNSPFZXGEEOR-REZTVBANSA-N. The full InChI is InChI=1S/C15H12IN3O2/c1-8-4-10(16)5-9(14(8)20)7-17-11-2-3-12-13(6-11)19-15(21)18-12/h2-7,20H,1H3,(H2,18,19,21)/b17-7+.
What are the key properties of 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 393.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 4056938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).