4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine

C24H17F5N6O — CID 134361865

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3cnc4c(-c5cnc(C(F)(F)F)[nH]5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C24H17F5N6O/c25-15-1-2-16(26)22-20(15)18(3-4-30-22)35-12-32-21-14(17-11-31-23(33-17)24(27,28)29)9-13(10-19(21)35)34-5-7-36-8-6-34/h1-4,9-12H,5-8H2,(H,31,33)
InChIKeyHWCCXQOFODZIKC-UHFFFAOYSA-N
MW500.43 g/mol
LogP5.10
Rot. Bonds3

About 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine

4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine (PubChem CID 134361865) has the molecular formula C24H17F5N6O and a molecular weight of 500.43 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine
PubChem CID134361865
Molecular FormulaC24H17F5N6O
Molecular Weight500.43 g/mol
Exact Mass500.14
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3cnc4c(-c5cnc(C(F)(F)F)[nH]5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C24H17F5N6O/c25-15-1-2-16(26)22-20(15)18(3-4-30-22)35-12-32-21-14(17-11-31-23(33-17)24(27,28)29)9-13(10-19(21)35)34-5-7-36-8-6-34/h1-4,9-12H,5-8H2,(H,31,33)
InChIKeyHWCCXQOFODZIKC-UHFFFAOYSA-N
XLogP5.10
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine (CID 134361865) is 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine is Fc1ccc(F)c2c(-n3cnc4c(-c5cnc(C(F)(F)F)[nH]5)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine?
The InChIKey is HWCCXQOFODZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O/c25-15-1-2-16(26)22-20(15)18(3-4-30-22)35-12-32-21-14(17-11-31-23(33-17)24(27,28)29)9-13(10-19(21)35)34-5-7-36-8-6-34/h1-4,9-12H,5-8H2,(H,31,33).
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine has a molecular weight of 500.43 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,8-difluoroquinolin-4-yl)-7-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).