N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C16H12N6O2 — CID 126617703

IUPACN-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)cnc1=O
InChIInChI=1S/C16H12N6O2/c1-21-9-10(8-17-16(21)24)18-14(23)12-6-7-22-13-5-3-2-4-11(13)19-15(22)20-12/h2-9H,1H3,(H,18,23)
InChIKeyQTWULPNPISFELJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.23
Rot. Bonds2

About N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617703) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617703
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)cnc1=O
InChIInChI=1S/C16H12N6O2/c1-21-9-10(8-17-16(21)24)18-14(23)12-6-7-22-13-5-3-2-4-11(13)19-15(22)20-12/h2-9H,1H3,(H,18,23)
InChIKeyQTWULPNPISFELJ-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-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617703) is N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is Cn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)cnc1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is QTWULPNPISFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-21-9-10(8-17-16(21)24)18-14(23)12-6-7-22-13-5-3-2-4-11(13)19-15(22)20-12/h2-9H,1H3,(H,18,23).
What are the key properties of N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(1-methyl-2-oxopyrimidin-5-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-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).