N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C18H15N5O2 — CID 164625330

IUPACN-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ncc(NC(=O)c2ccn3c(n2)nc2ccccc23)cc1C
InChIInChI=1S/C18H15N5O2/c1-11-9-12(10-19-17(11)25-2)20-16(24)14-7-8-23-15-6-4-3-5-13(15)21-18(23)22-14/h3-10H,1-2H3,(H,20,24)
InChIKeyFTYOPJLLUBNGIV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.85
Rot. Bonds3

About N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 164625330) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID164625330
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ncc(NC(=O)c2ccn3c(n2)nc2ccccc23)cc1C
InChIInChI=1S/C18H15N5O2/c1-11-9-12(10-19-17(11)25-2)20-16(24)14-7-8-23-15-6-4-3-5-13(15)21-18(23)22-14/h3-10H,1-2H3,(H,20,24)
InChIKeyFTYOPJLLUBNGIV-UHFFFAOYSA-N
XLogP2.85
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 164625330) is N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ncc(NC(=O)c2ccn3c(n2)nc2ccccc23)cc1C.
What is the InChIKey of N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is FTYOPJLLUBNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-9-12(10-19-17(11)25-2)20-16(24)14-7-8-23-15-6-4-3-5-13(15)21-18(23)22-14/h3-10H,1-2H3,(H,20,24).
What are the key properties of N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 164625330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).