2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

C19H18N6O2S — CID 46961075

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3nc(-c4cccs4)cc(N)c3=O)ccc2n1C
InChIInChI=1S/C19H18N6O2S/c1-11-21-14-8-12(5-6-16(14)24(11)2)22-18(26)10-25-19(27)13(20)9-15(23-25)17-4-3-7-28-17/h3-9H,10,20H2,1-2H3,(H,22,26)
InChIKeyWIDYRACVRBQWBX-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.39
Rot. Bonds4

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (PubChem CID 46961075) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
PubChem CID46961075
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3nc(-c4cccs4)cc(N)c3=O)ccc2n1C
InChIInChI=1S/C19H18N6O2S/c1-11-21-14-8-12(5-6-16(14)24(11)2)22-18(26)10-25-19(27)13(20)9-15(23-25)17-4-3-7-28-17/h3-9H,10,20H2,1-2H3,(H,22,26)
InChIKeyWIDYRACVRBQWBX-UHFFFAOYSA-N
XLogP2.39
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961074
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CID 46960778
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]acetamide
CID 51493146
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961048
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 16676552
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51589163

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (CID 46961075) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is Cc1nc2cc(NC(=O)Cn3nc(-c4cccs4)cc(N)c3=O)ccc2n1C.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The InChIKey is WIDYRACVRBQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-11-21-14-8-12(5-6-16(14)24(11)2)22-18(26)10-25-19(27)13(20)9-15(23-25)17-4-3-7-28-17/h3-9H,10,20H2,1-2H3,(H,22,26).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 46961075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).