2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide

C18H20N4O3S — CID 51896536

IUPAC2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O
InChIInChI=1S/C18H20N4O3S/c23-16(9-21-11-19-12-5-1-3-7-14(12)21)20-13-6-2-4-8-15(13)22-17(24)10-26-18(22)25/h1,3,5,7,11,13,15H,2,4,6,8-10H2,(H,20,23)/t13-,15-/m1/s1
InChIKeyCIWUBCPEGFOEJQ-UKRRQHHQSA-N
MW372.45 g/mol
LogP2.16
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide

2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide (PubChem CID 51896536) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
PubChem CID51896536
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O
InChIInChI=1S/C18H20N4O3S/c23-16(9-21-11-19-12-5-1-3-7-14(12)21)20-13-6-2-4-8-15(13)22-17(24)10-26-18(22)25/h1,3,5,7,11,13,15H,2,4,6,8-10H2,(H,20,23)/t13-,15-/m1/s1
InChIKeyCIWUBCPEGFOEJQ-UKRRQHHQSA-N
XLogP2.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
CID 51896526
1-benzyl-3-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]urea
CID 51896521
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630853
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 51896530

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide (CID 51896536) is 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide is O=C(Cn1cnc2ccccc21)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide?
The InChIKey is CIWUBCPEGFOEJQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-16(9-21-11-19-12-5-1-3-7-14(12)21)20-13-6-2-4-8-15(13)22-17(24)10-26-18(22)25/h1,3,5,7,11,13,15H,2,4,6,8-10H2,(H,20,23)/t13-,15-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide?
2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.16, 4 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-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 51896536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).