5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C15H13N3O2 — CID 4516447

IUPAC5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-9-2-3-10(14(19)6-9)8-16-11-4-5-12-13(7-11)18-15(20)17-12/h2-8,19H,1H3,(H2,17,18,20)/b16-8+
InChIKeyZDJJZFUHEHGHDF-LZYBPNLTSA-N
MW267.29 g/mol
LogP2.62
Rot. Bonds2

About 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 4516447) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID4516447
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-9-2-3-10(14(19)6-9)8-16-11-4-5-12-13(7-11)18-15(20)17-12/h2-8,19H,1H3,(H2,17,18,20)/b16-8+
InChIKeyZDJJZFUHEHGHDF-LZYBPNLTSA-N
XLogP2.62
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.62
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 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 4516447) is 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1.
What is the InChIKey of 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZDJJZFUHEHGHDF-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-2-3-10(14(19)6-9)8-16-11-4-5-12-13(7-11)18-15(20)17-12/h2-8,19H,1H3,(H2,17,18,20)/b16-8+.
What are the key properties of 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 4516447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).