(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

C18H13N3O3 — CID 4038504

IUPAC(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C18H13N3O3/c1-24-12-6-7-16(22)13(8-12)17(23)11-9-19-18-20-14-4-2-3-5-15(14)21(18)10-11/h2-10,22H,1H3
InChIKeyAYQORNNKIHTZBM-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.83
Rot. Bonds3

About (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone

(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (PubChem CID 4038504) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
PubChem CID4038504
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C18H13N3O3/c1-24-12-6-7-16(22)13(8-12)17(23)11-9-19-18-20-14-4-2-3-5-15(14)21(18)10-11/h2-10,22H,1H3
InChIKeyAYQORNNKIHTZBM-UHFFFAOYSA-N
XLogP2.83
TPSA76.72 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone (CID 4038504) is (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is COc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
The InChIKey is AYQORNNKIHTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-24-12-6-7-16(22)13(8-12)17(23)11-9-19-18-20-14-4-2-3-5-15(14)21(18)10-11/h2-10,22H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone?
(2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone has a molecular weight of 319.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone is sourced from PubChem (CID 4038504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).