N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

C19H14ClN5O2 — CID 51044493

IUPACN-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-7-5-12(6-8-13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-3-1-2-4-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26)
InChIKeyJNDGDQICOAHTQT-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.08
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51044493) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51044493
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-7-5-12(6-8-13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-3-1-2-4-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26)
InChIKeyJNDGDQICOAHTQT-UHFFFAOYSA-N
XLogP3.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53367843
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
CID 56762930
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
4-chloro-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55877331
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 51044493) is N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is JNDGDQICOAHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-13-7-5-12(6-8-13)14-9-10-18(27)25(24-14)11-17(26)23-19-21-15-3-1-2-4-16(15)22-19/h1-10H,11H2,(H2,21,22,23,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 379.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51044493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).