2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide

C28H32N6O3 — CID 4907110

IUPAC2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1
InChIInChI=1S/C28H32N6O3/c1-32-25-11-6-21(30-28(35)20-37-23-9-7-22(36-2)8-10-23)19-24(25)31-27(32)12-14-33-15-17-34(18-16-33)26-5-3-4-13-29-26/h3-11,13,19H,12,14-18,20H2,1-2H3,(H,30,35)
InChIKeyUFVHYJHMLNWZTQ-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.36
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide

2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide (PubChem CID 4907110) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
PubChem CID4907110
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1
InChIInChI=1S/C28H32N6O3/c1-32-25-11-6-21(30-28(35)20-37-23-9-7-22(36-2)8-10-23)19-24(25)31-27(32)12-14-33-15-17-34(18-16-33)26-5-3-4-13-29-26/h3-11,13,19H,12,14-18,20H2,1-2H3,(H,30,35)
InChIKeyUFVHYJHMLNWZTQ-UHFFFAOYSA-N
XLogP3.36
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide (CID 4907110) is 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccn4)CC2)n3C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The InChIKey is UFVHYJHMLNWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-32-25-11-6-21(30-28(35)20-37-23-9-7-22(36-2)8-10-23)19-24(25)31-27(32)12-14-33-15-17-34(18-16-33)26-5-3-4-13-29-26/h3-11,13,19H,12,14-18,20H2,1-2H3,(H,30,35).
What are the key properties of 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 4907110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).