2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide

C31H34N4O2 — CID 23517019

IUPAC2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)NCCc3ccccc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C31H34N4O2/c1-22(2)17-19-34-28-15-9-7-13-26(28)33-29(34)21-35-27-14-8-6-12-24(27)25(31(35)37)20-30(36)32-18-16-23-10-4-3-5-11-23/h3-15,22,25H,16-21H2,1-2H3,(H,32,36)
InChIKeyUMJJOIKXUVASMP-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.46
Rot. Bonds10

About 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide

2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 23517019) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID23517019
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)CCn1c(CN2C(=O)C(CC(=O)NCCc3ccccc3)c3ccccc32)nc2ccccc21
InChIInChI=1S/C31H34N4O2/c1-22(2)17-19-34-28-15-9-7-13-26(28)33-29(34)21-35-27-14-8-6-12-24(27)25(31(35)37)20-30(36)32-18-16-23-10-4-3-5-11-23/h3-15,22,25H,16-21H2,1-2H3,(H,32,36)
InChIKeyUMJJOIKXUVASMP-UHFFFAOYSA-N
XLogP5.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide (CID 23517019) is 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide is CC(C)CCn1c(CN2C(=O)C(CC(=O)NCCc3ccccc3)c3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is UMJJOIKXUVASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-22(2)17-19-34-28-15-9-7-13-26(28)33-29(34)21-35-27-14-8-6-12-24(27)25(31(35)37)20-30(36)32-18-16-23-10-4-3-5-11-23/h3-15,22,25H,16-21H2,1-2H3,(H,32,36).
What are the key properties of 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide?
2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 494.64 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 23517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).