7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one

C21H15N3O3 — CID 137189835

IUPAC7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nc5ccccc5n34)cc12
InChIInChI=1S/C21H15N3O3/c1-11-9-18(25)27-20-12(2)19(26)14(10-13(11)20)16-7-8-22-21-23-15-5-3-4-6-17(15)24(16)21/h3-10,26H,1-2H3
InChIKeyAOUANTCDLJYGLN-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.98
Rot. Bonds1

About 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one

7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one (PubChem CID 137189835) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one
PubChem CID137189835
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nc5ccccc5n34)cc12
InChIInChI=1S/C21H15N3O3/c1-11-9-18(25)27-20-12(2)19(26)14(10-13(11)20)16-7-8-22-21-23-15-5-3-4-6-17(15)24(16)21/h3-10,26H,1-2H3
InChIKeyAOUANTCDLJYGLN-UHFFFAOYSA-N
XLogP3.98
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one?
The IUPAC name of 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one (CID 137189835) is 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one?
The canonical SMILES for 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one is Cc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nc5ccccc5n34)cc12.
What is the InChIKey of 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one?
The InChIKey is AOUANTCDLJYGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-11-9-18(25)27-20-12(2)19(26)14(10-13(11)20)16-7-8-22-21-23-15-5-3-4-6-17(15)24(16)21/h3-10,26H,1-2H3.
What are the key properties of 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one?
7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one has a molecular weight of 357.37 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dimethyl-6-pyrimido[1,2-a]benzimidazol-4-ylchromen-2-one is sourced from PubChem (CID 137189835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).