4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole

C17H10F3N3 — CID 757155

IUPAC4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n2c(n1)nc1ccccc12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)23-13-9-5-4-8-12(13)21-16(23)22-15/h1-10H
InChIKeyKPFBNUMRLUHHAC-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.57
Rot. Bonds1

About 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole

4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole (PubChem CID 757155) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
PubChem CID757155
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n2c(n1)nc1ccccc12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)23-13-9-5-4-8-12(13)21-16(23)22-15/h1-10H
InChIKeyKPFBNUMRLUHHAC-UHFFFAOYSA-N
XLogP4.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole (CID 757155) is 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole is FC(F)(F)c1cc(-c2ccccc2)n2c(n1)nc1ccccc12.
What is the InChIKey of 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is KPFBNUMRLUHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)23-13-9-5-4-8-12(13)21-16(23)22-15/h1-10H.
What are the key properties of 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 313.28 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 757155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).