5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

C22H22N6O4 — CID 137073871

IUPAC5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2c(O)c(/C=N/c3cc4[nH]c(=O)[nH]c4cc3N(C)C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C22H22N6O4/c1-11-5-6-12(2)17(7-11)28-20(30)13(19(29)26-22(28)32)10-23-16-8-14-15(25-21(31)24-14)9-18(16)27(3)4/h5-10,30H,1-4H3,(H2,24,25,31)(H,26,29,32)/b23-10+
InChIKeyCSTUOLBCVZDVFX-AUEPDCJTSA-N
MW434.46 g/mol
LogP1.83
Rot. Bonds4

About 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 137073871) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID137073871
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2c(O)c(/C=N/c3cc4[nH]c(=O)[nH]c4cc3N(C)C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C22H22N6O4/c1-11-5-6-12(2)17(7-11)28-20(30)13(19(29)26-22(28)32)10-23-16-8-14-15(25-21(31)24-14)9-18(16)27(3)4/h5-10,30H,1-4H3,(H2,24,25,31)(H,26,29,32)/b23-10+
InChIKeyCSTUOLBCVZDVFX-AUEPDCJTSA-N
XLogP1.83
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 137070492
1-(4-bromo-2,3-dimethylphenyl)-5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137074171
1-(2,4-dimethylphenyl)-6-hydroxy-5-(methyliminomethyl)pyrimidine-2,4-dione
CID 4647893
1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4647898
6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 1202925
1-(4-bromophenyl)-3-[[1-(2,5-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]urea
CID 137073488
5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 137070182
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
6-hydroxy-1-(2-methoxyphenyl)-5-[[6-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]pyrimidine-2,4-dione
CID 137073238
6-hydroxy-5-[[6-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137070632
1-(4-bromophenyl)-6-hydroxy-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137073262
1-(2,4-dimethylphenyl)-5-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 135607276

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 137073871) is 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is Cc1ccc(C)c(-n2c(O)c(/C=N/c3cc4[nH]c(=O)[nH]c4cc3N(C)C)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CSTUOLBCVZDVFX-AUEPDCJTSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-11-5-6-12(2)17(7-11)28-20(30)13(19(29)26-22(28)32)10-23-16-8-14-15(25-21(31)24-14)9-18(16)27(3)4/h5-10,30H,1-4H3,(H2,24,25,31)(H,26,29,32)/b23-10+.
What are the key properties of 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 434.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(dimethylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137073871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).