5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one

C18H15N5O2 — CID 9484477

IUPAC5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)CC(=O)N4)n2)cc1
InChIInChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)18-20-22-23(21-18)10-16(24)13-6-7-15-14(8-13)9-17(25)19-15/h2-8H,9-10H2,1H3,(H,19,25)
InChIKeyPWRZYOTXHKMIQR-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.03
Rot. Bonds4

About 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one

5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 9484477) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
PubChem CID9484477
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)CC(=O)N4)n2)cc1
InChIInChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)18-20-22-23(21-18)10-16(24)13-6-7-15-14(8-13)9-17(25)19-15/h2-8H,9-10H2,1H3,(H,19,25)
InChIKeyPWRZYOTXHKMIQR-UHFFFAOYSA-N
XLogP2.03
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9485245
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 7712989
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7712985
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one (CID 9484477) is 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one is Cc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)CC(=O)N4)n2)cc1.
What is the InChIKey of 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
The InChIKey is PWRZYOTXHKMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)18-20-22-23(21-18)10-16(24)13-6-7-15-14(8-13)9-17(25)19-15/h2-8H,9-10H2,1H3,(H,19,25).
What are the key properties of 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one?
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 333.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9484477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).