4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one

C11H7F2N3O — CID 135633323

IUPAC4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESO=c1cc(C(F)F)n2c(nc3ccccc32)[nH]1
InChIInChI=1S/C11H7F2N3O/c12-10(13)8-5-9(17)15-11-14-6-3-1-2-4-7(6)16(8)11/h1-5,10H,(H,14,15,17)
InChIKeyKVEUKBJPCXEROP-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.11
Rot. Bonds1

About 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one

4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one (PubChem CID 135633323) has the molecular formula C11H7F2N3O and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
PubChem CID135633323
Molecular FormulaC11H7F2N3O
Molecular Weight235.19 g/mol
Exact Mass235.06
IUPAC Name4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESO=c1cc(C(F)F)n2c(nc3ccccc32)[nH]1
InChIInChI=1S/C11H7F2N3O/c12-10(13)8-5-9(17)15-11-14-6-3-1-2-4-7(6)16(8)11/h1-5,10H,(H,14,15,17)
InChIKeyKVEUKBJPCXEROP-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The IUPAC name of 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one (CID 135633323) is 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The canonical SMILES for 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one is O=c1cc(C(F)F)n2c(nc3ccccc32)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
The InChIKey is KVEUKBJPCXEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O/c12-10(13)8-5-9(17)15-11-14-6-3-1-2-4-7(6)16(8)11/h1-5,10H,(H,14,15,17).
What are the key properties of 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one?
4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one has a molecular weight of 235.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 135633323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).