1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone

C24H19N5O2 — CID 1175397

IUPAC1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)c4c[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C24H19N5O2/c1-31-19-12-10-17(11-13-19)16-6-8-18(9-7-16)24-26-28-29(27-24)15-23(30)21-14-25-22-5-3-2-4-20(21)22/h2-14,25H,15H2,1H3
InChIKeyLNBPIAHJCZLBDX-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.38
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone

1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 1175397) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID1175397
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)c4c[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C24H19N5O2/c1-31-19-12-10-17(11-13-19)16-6-8-18(9-7-16)24-26-28-29(27-24)15-23(30)21-14-25-22-5-3-2-4-20(21)22/h2-14,25H,15H2,1H3
InChIKeyLNBPIAHJCZLBDX-UHFFFAOYSA-N
XLogP4.38
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7897461
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
CID 1454689
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 41215141
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1454693
1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465605
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
1-(1H-indol-3-yl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 4307031
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone (CID 1175397) is 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone is COc1ccc(-c2ccc(-c3nnn(CC(=O)c4c[nH]c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is LNBPIAHJCZLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-31-19-12-10-17(11-13-19)16-6-8-18(9-7-16)24-26-28-29(27-24)15-23(30)21-14-25-22-5-3-2-4-20(21)22/h2-14,25H,15H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone?
1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 409.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 1175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).