6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

C14H7Cl2F3N6 — CID 164549219

IUPAC6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-n2ccnc2)n[nH]1
InChIInChI=1S/C14H7Cl2F3N6/c15-7-2-1-6-9(8(7)16)21-10(11(6)25-4-3-20-5-25)12-22-13(24-23-12)14(17,18)19/h1-5,21H,(H,22,23,24)
InChIKeyXKGXONMJDCMZQA-UHFFFAOYSA-N
MW387.15 g/mol
LogP4.46
Rot. Bonds2

About 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549219) has the molecular formula C14H7Cl2F3N6 and a molecular weight of 387.15 g/mol. Its IUPAC name is 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549219
Molecular FormulaC14H7Cl2F3N6
Molecular Weight387.15 g/mol
Exact Mass386.01
IUPAC Name6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-n2ccnc2)n[nH]1
InChIInChI=1S/C14H7Cl2F3N6/c15-7-2-1-6-9(8(7)16)21-10(11(6)25-4-3-20-5-25)12-22-13(24-23-12)14(17,18)19/h1-5,21H,(H,22,23,24)
InChIKeyXKGXONMJDCMZQA-UHFFFAOYSA-N
XLogP4.46
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole with MolForge

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Related Compounds

3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168272497
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1-methylindole
CID 142471737
US11312712, Example 202
CID 122654423
US11312712, Example 419
CID 122654919
3-[[5-[(3,5-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275268
US11312712, Example 199
CID 122654578
US11312712, Example 306
CID 122654640
3-[2-[4-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 155519582
3-[2-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-4-yl]ethyl]-1H-indole
CID 155555535

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549219) is 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is FC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-n2ccnc2)n[nH]1.
What is the InChIKey of 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is XKGXONMJDCMZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N6/c15-7-2-1-6-9(8(7)16)21-10(11(6)25-4-3-20-5-25)12-22-13(24-23-12)14(17,18)19/h1-5,21H,(H,22,23,24).
What are the key properties of 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 387.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-imidazol-1-yl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).