2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide

C22H20N4O3 — CID 93486204

IUPAC2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
SMILESC[C@@H]1Cc2cc(-c3cc(CNC(=O)Cn4cnc5ccccc54)no3)ccc2O1
InChIInChI=1S/C22H20N4O3/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(25-29-21)11-23-22(27)12-26-13-24-18-4-2-3-5-19(18)26/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyPIJDEIZILPZQBN-CQSZACIVSA-N
MW388.43 g/mol
LogP3.33
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide

2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 93486204) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID93486204
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
SMILESC[C@@H]1Cc2cc(-c3cc(CNC(=O)Cn4cnc5ccccc54)no3)ccc2O1
InChIInChI=1S/C22H20N4O3/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(25-29-21)11-23-22(27)12-26-13-24-18-4-2-3-5-19(18)26/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyPIJDEIZILPZQBN-CQSZACIVSA-N
XLogP3.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
CID 45497882
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497861
2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 93477821
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 45497881
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
CID 51862538
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 51696436
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 93487189
2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
CID 122162734
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide (CID 93486204) is 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide is C[C@@H]1Cc2cc(-c3cc(CNC(=O)Cn4cnc5ccccc54)no3)ccc2O1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is PIJDEIZILPZQBN-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-8-16-9-15(6-7-20(16)28-14)21-10-17(25-29-21)11-23-22(27)12-26-13-24-18-4-2-3-5-19(18)26/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide?
2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 93486204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).