6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione

C13H13N5O4 — CID 163864345

IUPAC6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione
SMILESCc1cc2[nH]c(=O)[nH]c2cc1/C=N/C1C(=O)NC(=O)NC1O
InChIInChI=1S/C13H13N5O4/c1-5-2-7-8(16-12(21)15-7)3-6(5)4-14-9-10(19)17-13(22)18-11(9)20/h2-4,9-10,19H,1H3,(H2,15,16,21)(H2,17,18,20,22)/b14-4+
InChIKeyPFIFQRMGMHKSHW-LNKIKWGQSA-N
MW303.28 g/mol
LogP-0.89
Rot. Bonds2

About 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione

6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione (PubChem CID 163864345) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione
PubChem CID163864345
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione
SMILESCc1cc2[nH]c(=O)[nH]c2cc1/C=N/C1C(=O)NC(=O)NC1O
InChIInChI=1S/C13H13N5O4/c1-5-2-7-8(16-12(21)15-7)3-6(5)4-14-9-10(19)17-13(22)18-11(9)20/h2-4,9-10,19H,1H3,(H2,15,16,21)(H2,17,18,20,22)/b14-4+
InChIKeyPFIFQRMGMHKSHW-LNKIKWGQSA-N
XLogP-0.89
TPSA139.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione (CID 163864345) is 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione is Cc1cc2[nH]c(=O)[nH]c2cc1/C=N/C1C(=O)NC(=O)NC1O.
What is the InChIKey of 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione?
The InChIKey is PFIFQRMGMHKSHW-LNKIKWGQSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-5-2-7-8(16-12(21)15-7)3-6(5)4-14-9-10(19)17-13(22)18-11(9)20/h2-4,9-10,19H,1H3,(H2,15,16,21)(H2,17,18,20,22)/b14-4+.
What are the key properties of 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione?
6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione has a molecular weight of 303.28 g/mol, XLogP of -0.89, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)methylideneamino]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163864345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).