2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide

C21H18N4O3 — CID 90551196

IUPAC2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H18N4O3/c26-20(14-24-15-23-18-5-1-2-6-19(18)24)22-11-3-4-16-7-9-17(10-8-16)25-12-13-28-21(25)27/h1-2,5-10,15H,11-14H2,(H,22,26)
InChIKeyKZFTWFFDBNFIAJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.16
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide

2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide (PubChem CID 90551196) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
PubChem CID90551196
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H18N4O3/c26-20(14-24-15-23-18-5-1-2-6-19(18)24)22-11-3-4-16-7-9-17(10-8-16)25-12-13-28-21(25)27/h1-2,5-10,15H,11-14H2,(H,22,26)
InChIKeyKZFTWFFDBNFIAJ-UHFFFAOYSA-N
XLogP2.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
CID 90551472
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3H-benzimidazole-5-carboxamide
CID 90551217
1-benzhydryl-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554079
2,6-difluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551302
3-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551299
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90551288
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551435
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
1-(2,3-dimethoxyphenyl)-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554066
2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554129
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90552517
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide (CID 90551196) is 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide is O=C(Cn1cnc2ccccc21)NCC#Cc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is KZFTWFFDBNFIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20(14-24-15-23-18-5-1-2-6-19(18)24)22-11-3-4-16-7-9-17(10-8-16)25-12-13-28-21(25)27/h1-2,5-10,15H,11-14H2,(H,22,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide?
2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 90551196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).