5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C22H25N5O — CID 53300746

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C22H25N5O/c1-15-8-10-18(11-9-15)14-26-19(28)12-13-22(26,4)21-23-24-25-27(21)20-16(2)6-5-7-17(20)3/h5-11H,12-14H2,1-4H3
InChIKeyDSSXXWPBOJDCAG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.63
Rot. Bonds4

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 53300746) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID53300746
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C22H25N5O/c1-15-8-10-18(11-9-15)14-26-19(28)12-13-22(26,4)21-23-24-25-27(21)20-16(2)6-5-7-17(20)3/h5-11H,12-14H2,1-4H3
InChIKeyDSSXXWPBOJDCAG-UHFFFAOYSA-N
XLogP3.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 53300746) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DSSXXWPBOJDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-8-10-18(11-9-15)14-26-19(28)12-13-22(26,4)21-23-24-25-27(21)20-16(2)6-5-7-17(20)3/h5-11H,12-14H2,1-4H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 53300746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).