4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C23H21N5O2 — CID 6228817

IUPAC4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-25-20-19(27-16-15-26(22(27)24-20)18-12-6-3-7-13-18)21(29)28(23(25)30)14-8-11-17-9-4-2-5-10-17/h2-13H,14-16H2,1H3/b11-8+
InChIKeyFSYFJARLPBSBPA-DHZHZOJOSA-N
MW399.45 g/mol
LogP2.76
Rot. Bonds4

About 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 6228817) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID6228817
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-25-20-19(27-16-15-26(22(27)24-20)18-12-6-3-7-13-18)21(29)28(23(25)30)14-8-11-17-9-4-2-5-10-17/h2-13H,14-16H2,1H3/b11-8+
InChIKeyFSYFJARLPBSBPA-DHZHZOJOSA-N
XLogP2.76
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 6228817) is 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1.
What is the InChIKey of 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is FSYFJARLPBSBPA-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-25-20-19(27-16-15-26(22(27)24-20)18-12-6-3-7-13-18)21(29)28(23(25)30)14-8-11-17-9-4-2-5-10-17/h2-13H,14-16H2,1H3/b11-8+.
What are the key properties of 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 399.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).