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

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide
CID 118771670
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91793051
2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95721250
(3aR,7aR)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812250
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 46986153
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 46968877
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 91784528
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-(1H-benzimidazol-2-ylmethoxy)acetamide;dihydrochloride
CID 172911746
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 131934776
7-[(3S,4S,6R)-4,6-dihydroxy-4-methyl-1-[2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]azepan-3-yl]-1,3-dimethylpurine-2,6-dione
CID 110162936

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).