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

C15H10ClF3N6O — CID 164549174

IUPAC6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl
InChIInChI=1S/C15H10ClF3N6O/c1-26-10-4-7-9(5-8(10)16)21-11(12(7)25-3-2-20-6-25)13-22-14(24-23-13)15(17,18)19/h2-6,21H,1H3,(H,22,23,24)
InChIKeyCAUUSMKOHVLGJN-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.82
Rot. Bonds3

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

6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549174) has the molecular formula C15H10ClF3N6O and a molecular weight of 382.73 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549174
Molecular FormulaC15H10ClF3N6O
Molecular Weight382.73 g/mol
Exact Mass382.06
IUPAC Name6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl
InChIInChI=1S/C15H10ClF3N6O/c1-26-10-4-7-9(5-8(10)16)21-11(12(7)25-3-2-20-6-25)13-22-14(24-23-13)15(17,18)19/h2-6,21H,1H3,(H,22,23,24)
InChIKeyCAUUSMKOHVLGJN-UHFFFAOYSA-N
XLogP3.82
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471801
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-fluoro-1H-benzimidazole
CID 137133102
3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471841
US20240051954, Example 33
CID 164549019
US20240051954, Example 46
CID 164549074
US20240051954, Example 45
CID 164549081
US20240051954, Example 31
CID 164549110
US12404261, Example 83a
CID 164549112
US12404261, Example 73
CID 164549114
US12404261, Example 91
CID 164549115
US12404261, Example 82
CID 164549118
US12404261, Example 127
CID 164549120

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549174) is 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is COc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(F)(F)F)n3)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is CAUUSMKOHVLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N6O/c1-26-10-4-7-9(5-8(10)16)21-11(12(7)25-3-2-20-6-25)13-22-14(24-23-13)15(17,18)19/h2-6,21H,1H3,(H,22,23,24).
What are the key properties of 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 382.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-5-methoxy-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).