2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide

C18H20N6O2 — CID 121137168

IUPAC2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H20N6O2/c25-18(12-24-13-21-14-3-1-2-4-15(14)24)20-11-16-19-6-5-17(22-16)23-7-9-26-10-8-23/h1-6,13H,7-12H2,(H,20,25)
InChIKeyGCBANDSAYRFNIN-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.98
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide

2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 121137168) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID121137168
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H20N6O2/c25-18(12-24-13-21-14-3-1-2-4-15(14)24)20-11-16-19-6-5-17(22-16)23-7-9-26-10-8-23/h1-6,13H,7-12H2,(H,20,25)
InChIKeyGCBANDSAYRFNIN-UHFFFAOYSA-N
XLogP0.98
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]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-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide (CID 121137168) is 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide is O=C(Cn1cnc2ccccc21)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is GCBANDSAYRFNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(12-24-13-21-14-3-1-2-4-15(14)24)20-11-16-19-6-5-17(22-16)23-7-9-26-10-8-23/h1-6,13H,7-12H2,(H,20,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 121137168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).