5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole

C17H14Cl2N4 — CID 155552818

IUPAC5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
SMILESClc1ccc(-n2cc(CN3CCc4cc(Cl)ccc43)nn2)cc1
InChIInChI=1S/C17H14Cl2N4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2
InChIKeyQXFBJTOHAXNGCL-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.14
Rot. Bonds3

About 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole

5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole (PubChem CID 155552818) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
PubChem CID155552818
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
SMILESClc1ccc(-n2cc(CN3CCc4cc(Cl)ccc43)nn2)cc1
InChIInChI=1S/C17H14Cl2N4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2
InChIKeyQXFBJTOHAXNGCL-UHFFFAOYSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole (CID 155552818) is 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole is Clc1ccc(-n2cc(CN3CCc4cc(Cl)ccc43)nn2)cc1.
What is the InChIKey of 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The InChIKey is QXFBJTOHAXNGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2.
What are the key properties of 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole has a molecular weight of 345.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 155552818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).