1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole

C16H14FN5 — CID 142661867

IUPAC1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESFc1ccc(CN2CCc3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16-18-20-21-19-16/h1-6,9H,7-8,10H2,(H,18,19,20,21)
InChIKeyQVDAGTUQEJNAFN-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.57
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole

1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole (PubChem CID 142661867) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole
PubChem CID142661867
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESFc1ccc(CN2CCc3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16-18-20-21-19-16/h1-6,9H,7-8,10H2,(H,18,19,20,21)
InChIKeyQVDAGTUQEJNAFN-UHFFFAOYSA-N
XLogP2.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole (CID 142661867) is 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole is Fc1ccc(CN2CCc3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The InChIKey is QVDAGTUQEJNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c17-14-4-1-11(2-5-14)10-22-8-7-12-9-13(3-6-15(12)22)16-18-20-21-19-16/h1-6,9H,7-8,10H2,(H,18,19,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole?
1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole has a molecular weight of 295.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole is sourced from PubChem (CID 142661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).