N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C16H20N4O2S — CID 51093639

IUPACN-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)n1c(NC(=O)CN2CSCC2=O)nc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)20-12-7-5-4-6-11(12)17-15(20)18-13(21)8-19-10-23-9-14(19)22/h4-7H,8-10H2,1-3H3,(H,17,18,21)
InChIKeyNOHKAJXDLNOIKV-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.26
Rot. Bonds3

About N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 51093639) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID51093639
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)n1c(NC(=O)CN2CSCC2=O)nc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)20-12-7-5-4-6-11(12)17-15(20)18-13(21)8-19-10-23-9-14(19)22/h4-7H,8-10H2,1-3H3,(H,17,18,21)
InChIKeyNOHKAJXDLNOIKV-UHFFFAOYSA-N
XLogP2.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634
N-(2-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512402
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 39693495
N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
CID 72689962
N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 97010185
N-(1-tert-butylbenzimidazol-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 71883752
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 51093633
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
(2R)-N-(1-tert-butylbenzimidazol-2-yl)-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 97010182
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78892320

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 51093639) is N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)(C)n1c(NC(=O)CN2CSCC2=O)nc2ccccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NOHKAJXDLNOIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(2,3)20-12-7-5-4-6-11(12)17-15(20)18-13(21)8-19-10-23-9-14(19)22/h4-7H,8-10H2,1-3H3,(H,17,18,21).
What are the key properties of N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 51093639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).