2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol

C18H19ClFN7O2 — CID 164549185

IUPAC2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol
SMILESCOc1cc2c(-n3ccnc3)c(-c3nc(N(C)CCO)n[nH]3)n(C)c2c(F)c1Cl
InChIInChI=1S/C18H19ClFN7O2/c1-25(6-7-28)18-22-17(23-24-18)16-15(27-5-4-21-9-27)10-8-11(29-3)12(19)13(20)14(10)26(16)2/h4-5,8-9,28H,6-7H2,1-3H3,(H,22,23,24)
InChIKeySDLJYXNGNBDORI-UHFFFAOYSA-N
MW419.85 g/mol
LogP2.38
Rot. Bonds6

About 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol

2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol (PubChem CID 164549185) has the molecular formula C18H19ClFN7O2 and a molecular weight of 419.85 g/mol. Its IUPAC name is 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol
PubChem CID164549185
Molecular FormulaC18H19ClFN7O2
Molecular Weight419.85 g/mol
Exact Mass419.13
IUPAC Name2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol
SMILESCOc1cc2c(-n3ccnc3)c(-c3nc(N(C)CCO)n[nH]3)n(C)c2c(F)c1Cl
InChIInChI=1S/C18H19ClFN7O2/c1-25(6-7-28)18-22-17(23-24-18)16-15(27-5-4-21-9-27)10-8-11(29-3)12(19)13(20)14(10)26(16)2/h4-5,8-9,28H,6-7H2,1-3H3,(H,22,23,24)
InChIKeySDLJYXNGNBDORI-UHFFFAOYSA-N
XLogP2.38
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol with MolForge

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Related Compounds

US20230391786, Example 152
CID 170795239
US20240051954, Example 28
CID 164549041
US20240051954, Example 27
CID 164549077
US20240051954, Example 21
CID 164549094
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
US12404261, Example 63
CID 164549121
US12404261, Example 72
CID 164549122
US12404261, Example 104
CID 164549123

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol (CID 164549185) is 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol is COc1cc2c(-n3ccnc3)c(-c3nc(N(C)CCO)n[nH]3)n(C)c2c(F)c1Cl.
What is the InChIKey of 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol?
The InChIKey is SDLJYXNGNBDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN7O2/c1-25(6-7-28)18-22-17(23-24-18)16-15(27-5-4-21-9-27)10-8-11(29-3)12(19)13(20)14(10)26(16)2/h4-5,8-9,28H,6-7H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol?
2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol has a molecular weight of 419.85 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-3-yl]-methylamino]ethanol is sourced from PubChem (CID 164549185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).