2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole

C17H14N4O2 — CID 164611376

IUPAC2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole
SMILESCOc1ccc(COc2ccn3c(n2)nc2ccccc23)nc1
InChIInChI=1S/C17H14N4O2/c1-22-13-7-6-12(18-10-13)11-23-16-8-9-21-15-5-3-2-4-14(15)19-17(21)20-16/h2-10H,11H2,1H3
InChIKeyYQKNNSOGPHVYSD-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.87
Rot. Bonds4

About 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole

2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole (PubChem CID 164611376) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole
PubChem CID164611376
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole
SMILESCOc1ccc(COc2ccn3c(n2)nc2ccccc23)nc1
InChIInChI=1S/C17H14N4O2/c1-22-13-7-6-12(18-10-13)11-23-16-8-9-21-15-5-3-2-4-14(15)19-17(21)20-16/h2-10H,11H2,1H3
InChIKeyYQKNNSOGPHVYSD-UHFFFAOYSA-N
XLogP2.87
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole (CID 164611376) is 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole is COc1ccc(COc2ccn3c(n2)nc2ccccc23)nc1.
What is the InChIKey of 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole?
The InChIKey is YQKNNSOGPHVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-13-7-6-12(18-10-13)11-23-16-8-9-21-15-5-3-2-4-14(15)19-17(21)20-16/h2-10H,11H2,1H3.
What are the key properties of 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole?
2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole has a molecular weight of 306.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-pyridinyl)methoxy]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 164611376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).