1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone

C23H17N5O — CID 7277959

IUPAC1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H17N5O/c29-20(15-28-26-23(25-27-28)17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)24-22(21)16-9-3-1-4-10-16/h1-14,24H,15H2
InChIKeyPUUFMEMTJHHRRK-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.37
Rot. Bonds5

About 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 7277959) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID7277959
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H17N5O/c29-20(15-28-26-23(25-27-28)17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)24-22(21)16-9-3-1-4-10-16/h1-14,24H,15H2
InChIKeyPUUFMEMTJHHRRK-UHFFFAOYSA-N
XLogP4.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
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3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 38846872
N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
CID 17410653
1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 35027210
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884583
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 7277959) is 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is PUUFMEMTJHHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-20(15-28-26-23(25-27-28)17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)24-22(21)16-9-3-1-4-10-16/h1-14,24H,15H2.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 379.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 7277959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).