2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C20H19N5O3 — CID 4901642

IUPAC2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCN1Cc1ccco1
InChIInChI=1S/C20H19N5O3/c1-22-17-16(18(26)25(20(22)27)12-14-6-3-2-4-7-14)24-10-9-23(19(24)21-17)13-15-8-5-11-28-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyYEMXWBMXCWZYKO-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.56
Rot. Bonds4

About 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 4901642) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID4901642
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCN1Cc1ccco1
InChIInChI=1S/C20H19N5O3/c1-22-17-16(18(26)25(20(22)27)12-14-6-3-2-4-7-14)24-10-9-23(19(24)21-17)13-15-8-5-11-28-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyYEMXWBMXCWZYKO-UHFFFAOYSA-N
XLogP1.56
TPSA78.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 4901642) is 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCN1Cc1ccco1.
What is the InChIKey of 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is YEMXWBMXCWZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-22-17-16(18(26)25(20(22)27)12-14-6-3-2-4-7-14)24-10-9-23(19(24)21-17)13-15-8-5-11-28-15/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 377.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).