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

C17H17ClN6O2 — CID 164549177

IUPAC2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(CCO)n3)n(C)c2cc1Cl
InChIInChI=1S/C17H17ClN6O2/c1-23-12-8-11(18)13(26-2)7-10(12)15(24-5-4-19-9-24)16(23)17-20-14(3-6-25)21-22-17/h4-5,7-9,25H,3,6H2,1-2H3,(H,20,21,22)
InChIKeyJLKRTLSGBXLFSJ-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.35
Rot. Bonds5

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

2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol (PubChem CID 164549177) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol
PubChem CID164549177
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(CCO)n3)n(C)c2cc1Cl
InChIInChI=1S/C17H17ClN6O2/c1-23-12-8-11(18)13(26-2)7-10(12)15(24-5-4-19-9-24)16(23)17-20-14(3-6-25)21-22-17/h4-5,7-9,25H,3,6H2,1-2H3,(H,20,21,22)
InChIKeyJLKRTLSGBXLFSJ-UHFFFAOYSA-N
XLogP2.35
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[4-[3-chloro-4-(1H-indazol-4-yloxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
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2-[4-[3-Chloro-4-(1-methylindazol-4-yl)oxyanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 57415537
US20230391786, Example 152
CID 170795239
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US20240051954, Example 30
CID 164549035
US20240051954, Example 27
CID 164549077
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The IUPAC name of 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol (CID 164549177) is 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol is COc1cc2c(-n3ccnc3)c(-c3n[nH]c(CCO)n3)n(C)c2cc1Cl.
What is the InChIKey of 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The InChIKey is JLKRTLSGBXLFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-23-12-8-11(18)13(26-2)7-10(12)15(24-5-4-19-9-24)16(23)17-20-14(3-6-25)21-22-17/h4-5,7-9,25H,3,6H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol?
2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol has a molecular weight of 372.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]ethanol is sourced from PubChem (CID 164549177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).