N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide

C26H27N3O5 — CID 70179521

IUPACN-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCOc1cc(Cn2c(=O)[nH]c3cccc(CC(=O)NCc4ccccc4)c32)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-32-21-12-18(13-22(33-2)25(21)34-3)16-29-24-19(10-7-11-20(24)28-26(29)31)14-23(30)27-15-17-8-5-4-6-9-17/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyGZGCNLOWHYLFPK-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.26
Rot. Bonds9

About N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide

N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide (PubChem CID 70179521) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
PubChem CID70179521
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCOc1cc(Cn2c(=O)[nH]c3cccc(CC(=O)NCc4ccccc4)c32)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-32-21-12-18(13-22(33-2)25(21)34-3)16-29-24-19(10-7-11-20(24)28-26(29)31)14-23(30)27-15-17-8-5-4-6-9-17/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyGZGCNLOWHYLFPK-UHFFFAOYSA-N
XLogP3.26
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide (CID 70179521) is N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide is COc1cc(Cn2c(=O)[nH]c3cccc(CC(=O)NCc4ccccc4)c32)cc(OC)c1OC.
What is the InChIKey of N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The InChIKey is GZGCNLOWHYLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-32-21-12-18(13-22(33-2)25(21)34-3)16-29-24-19(10-7-11-20(24)28-26(29)31)14-23(30)27-15-17-8-5-4-6-9-17/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide has a molecular weight of 461.52 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 70179521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).