4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole

C22H24N4 — CID 21266647

IUPAC4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole
SMILESCc1cc(C)c(-n2nc(C)c3c2nc(C)n3Cc2ccccc2)c(C)c1
InChIInChI=1S/C22H24N4/c1-14-11-15(2)20(16(3)12-14)26-22-21(17(4)24-26)25(18(5)23-22)13-19-9-7-6-8-10-19/h6-12H,13H2,1-5H3
InChIKeyXQMJKAHXBFIOSS-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.81
Rot. Bonds3

About 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole

4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole (PubChem CID 21266647) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole
PubChem CID21266647
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole
SMILESCc1cc(C)c(-n2nc(C)c3c2nc(C)n3Cc2ccccc2)c(C)c1
InChIInChI=1S/C22H24N4/c1-14-11-15(2)20(16(3)12-14)26-22-21(17(4)24-26)25(18(5)23-22)13-19-9-7-6-8-10-19/h6-12H,13H2,1-5H3
InChIKeyXQMJKAHXBFIOSS-UHFFFAOYSA-N
XLogP4.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole (CID 21266647) is 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole is Cc1cc(C)c(-n2nc(C)c3c2nc(C)n3Cc2ccccc2)c(C)c1.
What is the InChIKey of 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole?
The InChIKey is XQMJKAHXBFIOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-14-11-15(2)20(16(3)12-14)26-22-21(17(4)24-26)25(18(5)23-22)13-19-9-7-6-8-10-19/h6-12H,13H2,1-5H3.
What are the key properties of 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole?
4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole has a molecular weight of 344.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 21266647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).