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

C26H24N4O3 — CID 112834288

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(=O)[nH]c3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N4O3/c1-33-18-12-10-17(11-13-18)20(21-15-27-22-7-3-2-6-19(21)22)14-28-25(31)16-30-24-9-5-4-8-23(24)29-26(30)32/h2-13,15,20,27H,14,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyXUVROQBRAUHTNH-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.77
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 112834288) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID112834288
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(=O)[nH]c3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N4O3/c1-33-18-12-10-17(11-13-18)20(21-15-27-22-7-3-2-6-19(21)22)14-28-25(31)16-30-24-9-5-4-8-23(24)29-26(30)32/h2-13,15,20,27H,14,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyXUVROQBRAUHTNH-UHFFFAOYSA-N
XLogP3.77
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46654626
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558536
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 24599797
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide
CID 154851146

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 112834288) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is COc1ccc(C(CNC(=O)Cn2c(=O)[nH]c3ccccc32)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is XUVROQBRAUHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-18-12-10-17(11-13-18)20(21-15-27-22-7-3-2-6-19(21)22)14-28-25(31)16-30-24-9-5-4-8-23(24)29-26(30)32/h2-13,15,20,27H,14,16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 440.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 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-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 112834288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).