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

C19H19FN4 — CID 126572632

IUPAC5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C19H19FN4/c1-11-9-13(19-21-23-24(3)22-19)10-12(2)18(11)16-7-8-17(20)15-6-4-5-14(15)16/h7-10H,4-6H2,1-3H3
InChIKeyFLOKNWFBPKRIMA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.79
Rot. Bonds2

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

5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole (PubChem CID 126572632) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole
PubChem CID126572632
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C19H19FN4/c1-11-9-13(19-21-23-24(3)22-19)10-12(2)18(11)16-7-8-17(20)15-6-4-5-14(15)16/h7-10H,4-6H2,1-3H3
InChIKeyFLOKNWFBPKRIMA-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole?
The IUPAC name of 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole (CID 126572632) is 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole.
What is the SMILES notation for 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole?
The canonical SMILES for 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole is Cc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CCC2.
What is the InChIKey of 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole?
The InChIKey is FLOKNWFBPKRIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-11-9-13(19-21-23-24(3)22-19)10-12(2)18(11)16-7-8-17(20)15-6-4-5-14(15)16/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole?
5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole has a molecular weight of 322.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole is sourced from PubChem (CID 126572632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).