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

C19H18F3N5 — CID 70999094

IUPAC2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
SMILESCC1C(Cc2nn[nH]n2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N5/c1-12-16(10-18-23-25-26-24-18)15-4-2-3-5-17(15)27(12)11-13-6-8-14(9-7-13)19(20,21)22/h2-9,12,16H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyZTIOGZVJJQJLLP-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.95
Rot. Bonds4

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

2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole (PubChem CID 70999094) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
PubChem CID70999094
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
SMILESCC1C(Cc2nn[nH]n2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N5/c1-12-16(10-18-23-25-26-24-18)15-4-2-3-5-17(15)27(12)11-13-6-8-14(9-7-13)19(20,21)22/h2-9,12,16H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyZTIOGZVJJQJLLP-UHFFFAOYSA-N
XLogP3.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole (CID 70999094) is 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole is CC1C(Cc2nn[nH]n2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
The InChIKey is ZTIOGZVJJQJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-12-16(10-18-23-25-26-24-18)15-4-2-3-5-17(15)27(12)11-13-6-8-14(9-7-13)19(20,21)22/h2-9,12,16H,10-11H2,1H3,(H,23,24,25,26).
What are the key properties of 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole?
2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole has a molecular weight of 373.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 70999094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).