1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one

C18H17N5O2 — CID 127035746

IUPAC1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
SMILESCc1ccc2c(c1)C(O)(Cc1nn[nH]n1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H17N5O2/c1-12-7-8-15-14(9-12)18(25,10-16-19-21-22-20-16)17(24)23(15)11-13-5-3-2-4-6-13/h2-9,25H,10-11H2,1H3,(H,19,20,21,22)
InChIKeyYIYLGYQQMWAQHT-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.49
Rot. Bonds4

About 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one

1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one (PubChem CID 127035746) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
PubChem CID127035746
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
SMILESCc1ccc2c(c1)C(O)(Cc1nn[nH]n1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H17N5O2/c1-12-7-8-15-14(9-12)18(25,10-16-19-21-22-20-16)17(24)23(15)11-13-5-3-2-4-6-13/h2-9,25H,10-11H2,1H3,(H,19,20,21,22)
InChIKeyYIYLGYQQMWAQHT-UHFFFAOYSA-N
XLogP1.49
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
1-benzyl-5-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4065671
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
CID 132544016
CID 132544016
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008
(3S)-1-benzyl-5-bromo-3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 40874559
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444630
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one (CID 127035746) is 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one is Cc1ccc2c(c1)C(O)(Cc1nn[nH]n1)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one?
The InChIKey is YIYLGYQQMWAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-7-8-15-14(9-12)18(25,10-16-19-21-22-20-16)17(24)23(15)11-13-5-3-2-4-6-13/h2-9,25H,10-11H2,1H3,(H,19,20,21,22).
What are the key properties of 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one?
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one is sourced from PubChem (CID 127035746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).