6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C16H16ClN5O2 — CID 4891443

IUPAC6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H16ClN5O2/c1-9-4-5-10(17)8-11(9)21-6-7-22-12-13(18-15(21)22)19(2)16(24)20(3)14(12)23/h4-5,8H,6-7H2,1-3H3
InChIKeyRJFXHTVSEJRAHV-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.55
Rot. Bonds1

About 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 4891443) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID4891443
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H16ClN5O2/c1-9-4-5-10(17)8-11(9)21-6-7-22-12-13(18-15(21)22)19(2)16(24)20(3)14(12)23/h4-5,8H,6-7H2,1-3H3
InChIKeyRJFXHTVSEJRAHV-UHFFFAOYSA-N
XLogP1.55
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 4891443) is 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is RJFXHTVSEJRAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9-4-5-10(17)8-11(9)21-6-7-22-12-13(18-15(21)22)19(2)16(24)20(3)14(12)23/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 345.79 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4891443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).