8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C18H15N5O3 — CID 126617850

IUPAC8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(OC)nc3)ccn12
InChIInChI=1S/C18H15N5O3/c1-25-12-4-5-15-14(9-12)22-18-21-13(7-8-23(15)18)17(24)20-11-3-6-16(26-2)19-10-11/h3-10H,1-2H3,(H,20,24)
InChIKeyYZXBIBALWIDKEB-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.55
Rot. Bonds4

About 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617850) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617850
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(OC)nc3)ccn12
InChIInChI=1S/C18H15N5O3/c1-25-12-4-5-15-14(9-12)22-18-21-13(7-8-23(15)18)17(24)20-11-3-6-16(26-2)19-10-11/h3-10H,1-2H3,(H,20,24)
InChIKeyYZXBIBALWIDKEB-UHFFFAOYSA-N
XLogP2.55
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617850) is 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(OC)nc3)ccn12.
What is the InChIKey of 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is YZXBIBALWIDKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-25-12-4-5-15-14(9-12)22-18-21-13(7-8-23(15)18)17(24)20-11-3-6-16(26-2)19-10-11/h3-10H,1-2H3,(H,20,24).
What are the key properties of 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(6-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).