N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine

C22H16F4N4O — CID 155580182

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccccc3)c3c(C(F)(F)F)ncn13)CCO2
InChIInChI=1S/C22H16F4N4O/c23-17-6-7-18-14(8-9-31-18)16(17)11-28-21-27-10-15(13-4-2-1-3-5-13)19-20(22(24,25)26)29-12-30(19)21/h1-7,10,12H,8-9,11H2,(H,27,28)
InChIKeyNIVHDLIWRZVAIX-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.10
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 155580182) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID155580182
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccccc3)c3c(C(F)(F)F)ncn13)CCO2
InChIInChI=1S/C22H16F4N4O/c23-17-6-7-18-14(8-9-31-18)16(17)11-28-21-27-10-15(13-4-2-1-3-5-13)19-20(22(24,25)26)29-12-30(19)21/h1-7,10,12H,8-9,11H2,(H,27,28)
InChIKeyNIVHDLIWRZVAIX-UHFFFAOYSA-N
XLogP5.10
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine (CID 155580182) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine is Fc1ccc2c(c1CNc1ncc(-c3ccccc3)c3c(C(F)(F)F)ncn13)CCO2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is NIVHDLIWRZVAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c23-17-6-7-18-14(8-9-31-18)16(17)11-28-21-27-10-15(13-4-2-1-3-5-13)19-20(22(24,25)26)29-12-30(19)21/h1-7,10,12H,8-9,11H2,(H,27,28).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 428.39 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155580182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).