4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C22H16F3N5O2 — CID 58507847

IUPAC4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)20-26-14-6-2-3-7-15(14)30(20)21-27-17-13-5-1-4-8-16(13)32-18(17)19(28-21)29-9-11-31-12-10-29/h1-8H,9-12H2
InChIKeyWCMOWEBCBFHVJS-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.57
Rot. Bonds2

About 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58507847) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58507847
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)20-26-14-6-2-3-7-15(14)30(20)21-27-17-13-5-1-4-8-16(13)32-18(17)19(28-21)29-9-11-31-12-10-29/h1-8H,9-12H2
InChIKeyWCMOWEBCBFHVJS-UHFFFAOYSA-N
XLogP4.57
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 58507847) is 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine is FC(F)(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WCMOWEBCBFHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c23-22(24,25)20-26-14-6-2-3-7-15(14)30(20)21-27-17-13-5-1-4-8-16(13)32-18(17)19(28-21)29-9-11-31-12-10-29/h1-8H,9-12H2.
What are the key properties of 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 439.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58507847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).