2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

C19H13N5OS — CID 71930597

IUPAC2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13N5OS/c20-10-13(17-22-14-8-4-5-9-15(14)23-17)18(25)24-19-21-11-16(26-19)12-6-2-1-3-7-12/h1-9,11,13H,(H,22,23)(H,21,24,25)
InChIKeyXLDBUQYGWYLODC-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.93
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71930597) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID71930597
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13N5OS/c20-10-13(17-22-14-8-4-5-9-15(14)23-17)18(25)24-19-21-11-16(26-19)12-6-2-1-3-7-12/h1-9,11,13H,(H,22,23)(H,21,24,25)
InChIKeyXLDBUQYGWYLODC-UHFFFAOYSA-N
XLogP3.93
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide
CID 71910410
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
CID 129380747
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
CID 2376701
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
2-(1H-benzimidazol-2-yl)-4-[[5-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile
CID 4829491
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
CID 71896665
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
CID 86981705
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119720429

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (CID 71930597) is 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is N#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XLDBUQYGWYLODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c20-10-13(17-22-14-8-4-5-9-15(14)23-17)18(25)24-19-21-11-16(26-19)12-6-2-1-3-7-12/h1-9,11,13H,(H,22,23)(H,21,24,25).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71930597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).