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'}

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Related Compounds

5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447
5-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3291118
methyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]benzoate
CID 708446
5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3258918
5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 671066
5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4600415
5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3367864
6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile
CID 3545752
5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 135828600
1-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 4150796
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
CID 135922579

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).