N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

C18H13N5O3 — CID 49017160

IUPACN-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(-n2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C18H13N5O3/c24-15-8-9-16(25)23(22-15)12-5-3-4-11(10-12)17(26)21-18-19-13-6-1-2-7-14(13)20-18/h1-10H,(H,22,24)(H2,19,20,21,26)
InChIKeyJEOOYVISRXWOEF-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.65
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (PubChem CID 49017160) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
PubChem CID49017160
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(-n2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C18H13N5O3/c24-15-8-9-16(25)23(22-15)12-5-3-4-11(10-12)17(26)21-18-19-13-6-1-2-7-14(13)20-18/h1-10H,(H,22,24)(H2,19,20,21,26)
InChIKeyJEOOYVISRXWOEF-UHFFFAOYSA-N
XLogP1.65
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
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CID 30476399
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730029
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 86873608
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
CID 112527987

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (CID 49017160) is N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is O=C(Nc1nc2ccccc2[nH]1)c1cccc(-n2[nH]c(=O)ccc2=O)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The InChIKey is JEOOYVISRXWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-15-8-9-16(25)23(22-15)12-5-3-4-11(10-12)17(26)21-18-19-13-6-1-2-7-14(13)20-18/h1-10H,(H,22,24)(H2,19,20,21,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide has a molecular weight of 347.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is sourced from PubChem (CID 49017160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).