3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

C11H9BrF3N3 — CID 115404684

IUPAC3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)C1CCc2nc3ncc(Br)cn3c2C1
InChIInChI=1S/C11H9BrF3N3/c12-7-4-16-10-17-8-2-1-6(11(13,14)15)3-9(8)18(10)5-7/h4-6H,1-3H2
InChIKeyBFPQCXQSVWDUTE-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.16
Rot. Bonds

About 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 115404684) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID115404684
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)C1CCc2nc3ncc(Br)cn3c2C1
InChIInChI=1S/C11H9BrF3N3/c12-7-4-16-10-17-8-2-1-6(11(13,14)15)3-9(8)18(10)5-7/h4-6H,1-3H2
InChIKeyBFPQCXQSVWDUTE-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (CID 115404684) is 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is FC(F)(F)C1CCc2nc3ncc(Br)cn3c2C1.
What is the InChIKey of 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is BFPQCXQSVWDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c12-7-4-16-10-17-8-2-1-6(11(13,14)15)3-9(8)18(10)5-7/h4-6H,1-3H2.
What are the key properties of 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 320.11 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 115404684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).