N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C16H21N3O4 — CID 91792802

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)N[C@@H]3COCC[C@H]3O)[nH]c2c1
InChIInChI=1S/C16H21N3O4/c1-10-2-3-11-12(6-10)18-15(17-11)8-23-9-16(21)19-13-7-22-5-4-14(13)20/h2-3,6,13-14,20H,4-5,7-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-/m1/s1
InChIKeyRGXLETSAOGBVFR-ZIAGYGMSSA-N
MW319.36 g/mol
LogP0.65
Rot. Bonds5

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91792802) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91792802
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)N[C@@H]3COCC[C@H]3O)[nH]c2c1
InChIInChI=1S/C16H21N3O4/c1-10-2-3-11-12(6-10)18-15(17-11)8-23-9-16(21)19-13-7-22-5-4-14(13)20/h2-3,6,13-14,20H,4-5,7-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-/m1/s1
InChIKeyRGXLETSAOGBVFR-ZIAGYGMSSA-N
XLogP0.65
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]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 N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91792802) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1ccc2nc(COCC(=O)N[C@@H]3COCC[C@H]3O)[nH]c2c1.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is RGXLETSAOGBVFR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-2-3-11-12(6-10)18-15(17-11)8-23-9-16(21)19-13-7-22-5-4-14(13)20/h2-3,6,13-14,20H,4-5,7-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 319.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91792802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).