8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

C17H13N5O2 — CID 164611370

IUPAC8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccccn3)ccn12
InChIInChI=1S/C17H13N5O2/c1-24-11-5-6-14-13(10-11)20-17-19-12(7-9-22(14)17)16(23)21-15-4-2-3-8-18-15/h2-10H,1H3,(H,18,21,23)
InChIKeyHATGQDZUBDYTQG-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.54
Rot. Bonds3

About 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 164611370) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID164611370
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccccn3)ccn12
InChIInChI=1S/C17H13N5O2/c1-24-11-5-6-14-13(10-11)20-17-19-12(7-9-22(14)17)16(23)21-15-4-2-3-8-18-15/h2-10H,1H3,(H,18,21,23)
InChIKeyHATGQDZUBDYTQG-UHFFFAOYSA-N
XLogP2.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (CID 164611370) is 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)Nc3ccccn3)ccn12.
What is the InChIKey of 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is HATGQDZUBDYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-11-5-6-14-13(10-11)20-17-19-12(7-9-22(14)17)16(23)21-15-4-2-3-8-18-15/h2-10H,1H3,(H,18,21,23).
What are the key properties of 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 164611370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).