2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C18H15BrN4O — CID 30822735

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H15BrN4O/c19-16-8-6-13(7-9-16)18-20-22-23(21-18)11-17(24)15-5-4-12-2-1-3-14(12)10-15/h4-10H,1-3,11H2
InChIKeyZZOVHCPPNFIXNG-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.47
Rot. Bonds4

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 30822735) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID30822735
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H15BrN4O/c19-16-8-6-13(7-9-16)18-20-22-23(21-18)11-17(24)15-5-4-12-2-1-3-14(12)10-15/h4-10H,1-3,11H2
InChIKeyZZOVHCPPNFIXNG-UHFFFAOYSA-N
XLogP3.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9485245
methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate
CID 51103399
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 7490439
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
CID 52727894
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51595719
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 30822735) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is ZZOVHCPPNFIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-16-8-6-13(7-9-16)18-20-22-23(21-18)11-17(24)15-5-4-12-2-1-3-14(12)10-15/h4-10H,1-3,11H2.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 383.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 30822735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).