1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol

C22H25FN4O — CID 146352276

IUPAC1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cc(-c2nnn(CC(C)(C)O)n2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C22H25FN4O/c1-13-10-15(21-24-26-27(25-21)12-22(3,4)28)11-14(2)20(13)18-8-9-19(23)17-7-5-6-16(17)18/h8-11,28H,5-7,12H2,1-4H3
InChIKeyLLVSHTFZWMPHLD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.02
Rot. Bonds4

About 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol

1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol (PubChem CID 146352276) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol
PubChem CID146352276
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cc(-c2nnn(CC(C)(C)O)n2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C22H25FN4O/c1-13-10-15(21-24-26-27(25-21)12-22(3,4)28)11-14(2)20(13)18-8-9-19(23)17-7-5-6-16(17)18/h8-11,28H,5-7,12H2,1-4H3
InChIKeyLLVSHTFZWMPHLD-UHFFFAOYSA-N
XLogP4.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol (CID 146352276) is 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol is Cc1cc(-c2nnn(CC(C)(C)O)n2)cc(C)c1-c1ccc(F)c2c1CCC2.
What is the InChIKey of 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is LLVSHTFZWMPHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-13-10-15(21-24-26-27(25-21)12-22(3,4)28)11-14(2)20(13)18-8-9-19(23)17-7-5-6-16(17)18/h8-11,28H,5-7,12H2,1-4H3.
What are the key properties of 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol?
1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 380.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 146352276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).