3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole

C18H16F3N5 — CID 60523440

IUPAC3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESCC1CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H16F3N5/c1-12-10-25(16-5-3-2-4-15(12)16)11-17-22-23-24-26(17)14-8-6-13(7-9-14)18(19,20)21/h2-9,12H,10-11H2,1H3
InChIKeyHCFDDKDPNIGIRS-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.80
Rot. Bonds3

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

3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole (PubChem CID 60523440) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole
PubChem CID60523440
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESCC1CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H16F3N5/c1-12-10-25(16-5-3-2-4-15(12)16)11-17-22-23-24-26(17)14-8-6-13(7-9-14)18(19,20)21/h2-9,12H,10-11H2,1H3
InChIKeyHCFDDKDPNIGIRS-UHFFFAOYSA-N
XLogP3.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole (CID 60523440) is 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole is CC1CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole?
The InChIKey is HCFDDKDPNIGIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c1-12-10-25(16-5-3-2-4-15(12)16)11-17-22-23-24-26(17)14-8-6-13(7-9-14)18(19,20)21/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole?
3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole has a molecular weight of 359.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 60523440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).