N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C16H12N6O2 — CID 126617751

IUPACN-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1nc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O
InChIInChI=1S/C16H12N6O2/c1-21-14(23)7-6-13(20-21)19-15(24)11-8-9-22-12-5-3-2-4-10(12)17-16(22)18-11/h2-9H,1H3,(H,19,20,24)
InChIKeyCFTVJELQXYEKAG-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.23
Rot. Bonds2

About N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617751) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617751
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1nc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O
InChIInChI=1S/C16H12N6O2/c1-21-14(23)7-6-13(20-21)19-15(24)11-8-9-22-12-5-3-2-4-10(12)17-16(22)18-11/h2-9H,1H3,(H,19,20,24)
InChIKeyCFTVJELQXYEKAG-UHFFFAOYSA-N
XLogP1.23
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617751) is N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is Cn1nc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is CFTVJELQXYEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-21-14(23)7-6-13(20-21)19-15(24)11-8-9-22-12-5-3-2-4-10(12)17-16(22)18-11/h2-9H,1H3,(H,19,20,24).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).