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

C17H18N6O4 — CID 137074713

IUPAC6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C17H18N6O4/c24-14-9(15(25)22-17(27)21-14)8-18-12-6-10-11(20-16(26)19-10)7-13(12)23-4-2-1-3-5-23/h6-8H,1-5H2,(H2,19,20,26)(H3,21,22,24,25,27)/b18-8+
InChIKeyLUMFRXQSZUSESQ-QGMBQPNBSA-N
MW370.37 g/mol
LogP0.68
Rot. Bonds3

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

6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 137074713) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID137074713
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C17H18N6O4/c24-14-9(15(25)22-17(27)21-14)8-18-12-6-10-11(20-16(26)19-10)7-13(12)23-4-2-1-3-5-23/h6-8H,1-5H2,(H2,19,20,26)(H3,21,22,24,25,27)/b18-8+
InChIKeyLUMFRXQSZUSESQ-QGMBQPNBSA-N
XLogP0.68
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,3-dimethyl-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137073207
1-(4-bromophenyl)-6-hydroxy-5-[(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137073262
6-hydroxy-1-(4-methoxyphenyl)-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137074119
1-(2-chlorophenyl)-6-hydroxy-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137073293
6-hydroxy-1,3-dimethyl-5-[(6-morpholin-4-yl-2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 137074624
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
5-[[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one
CID 137074450
5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 136835129
5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2288826
5-(cycloheptyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4830187
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione (CID 137074713) is 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/c2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LUMFRXQSZUSESQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H18N6O4/c24-14-9(15(25)22-17(27)21-14)8-18-12-6-10-11(20-16(26)19-10)7-13(12)23-4-2-1-3-5-23/h6-8H,1-5H2,(H2,19,20,26)(H3,21,22,24,25,27)/b18-8+.
What are the key properties of 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137074713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).