6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione

C19H15N5O4 — CID 1202925

IUPAC6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H15N5O4/c1-10-3-2-4-12(7-10)24-17(26)13(16(25)23-19(24)28)9-20-11-5-6-14-15(8-11)22-18(27)21-14/h2-9,26H,1H3,(H2,21,22,27)(H,23,25,28)/b20-9+
InChIKeyWMBILAUHPJXRBM-AWQFTUOYSA-N
MW377.36 g/mol
LogP1.46
Rot. Bonds3

About 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1202925) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1202925
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H15N5O4/c1-10-3-2-4-12(7-10)24-17(26)13(16(25)23-19(24)28)9-20-11-5-6-14-15(8-11)22-18(27)21-14/h2-9,26H,1H3,(H2,21,22,27)(H,23,25,28)/b20-9+
InChIKeyWMBILAUHPJXRBM-AWQFTUOYSA-N
XLogP1.46
TPSA136.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione (CID 1202925) is 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is WMBILAUHPJXRBM-AWQFTUOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-10-3-2-4-12(7-10)24-17(26)13(16(25)23-19(24)28)9-20-11-5-6-14-15(8-11)22-18(27)21-14/h2-9,26H,1H3,(H2,21,22,27)(H,23,25,28)/b20-9+.
What are the key properties of 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 377.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1202925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).