1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole

C19H24N6 — CID 56870161

IUPAC1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(-c3nccn3C(C)Cn3cncn3)ccc21
InChIInChI=1S/C19H24N6/c1-14(2)24-8-6-16-10-17(4-5-18(16)24)19-21-7-9-25(19)15(3)11-23-13-20-12-22-23/h4-5,7,9-10,12-15H,6,8,11H2,1-3H3
InChIKeyDNJPZXLEUFYGSO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.17
Rot. Bonds5

About 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole

1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole (PubChem CID 56870161) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole
PubChem CID56870161
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(-c3nccn3C(C)Cn3cncn3)ccc21
InChIInChI=1S/C19H24N6/c1-14(2)24-8-6-16-10-17(4-5-18(16)24)19-21-7-9-25(19)15(3)11-23-13-20-12-22-23/h4-5,7,9-10,12-15H,6,8,11H2,1-3H3
InChIKeyDNJPZXLEUFYGSO-UHFFFAOYSA-N
XLogP3.17
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole?
The IUPAC name of 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole (CID 56870161) is 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole?
The canonical SMILES for 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole is CC(C)N1CCc2cc(-c3nccn3C(C)Cn3cncn3)ccc21.
What is the InChIKey of 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole?
The InChIKey is DNJPZXLEUFYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14(2)24-8-6-16-10-17(4-5-18(16)24)19-21-7-9-25(19)15(3)11-23-13-20-12-22-23/h4-5,7,9-10,12-15H,6,8,11H2,1-3H3.
What are the key properties of 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole?
1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole has a molecular weight of 336.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 56870161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).