N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C27H23F3N4O2 — CID 46654626

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H23F3N4O2/c1-36-18-12-10-17(11-13-18)20(21-15-31-22-7-3-2-6-19(21)22)14-32-25(35)16-34-24-9-5-4-8-23(24)33-26(34)27(28,29)30/h2-13,15,20,31H,14,16H2,1H3,(H,32,35)
InChIKeyWLLRENVUOKBXDG-UHFFFAOYSA-N
MW492.50 g/mol
LogP5.49
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 46654626) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID46654626
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H23F3N4O2/c1-36-18-12-10-17(11-13-18)20(21-15-31-22-7-3-2-6-19(21)22)14-32-25(35)16-34-24-9-5-4-8-23(24)33-26(34)27(28,29)30/h2-13,15,20,31H,14,16H2,1H3,(H,32,35)
InChIKeyWLLRENVUOKBXDG-UHFFFAOYSA-N
XLogP5.49
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 46654626) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is COc1ccc(C(CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is WLLRENVUOKBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-36-18-12-10-17(11-13-18)20(21-15-31-22-7-3-2-6-19(21)22)14-32-25(35)16-34-24-9-5-4-8-23(24)33-26(34)27(28,29)30/h2-13,15,20,31H,14,16H2,1H3,(H,32,35).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 492.50 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46654626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).