4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine

C23H18ClF3N4O — CID 11547078

IUPAC4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)c2nc(-c3ccc(-c4ncccc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C23H18ClF3N4O/c24-17-2-1-7-28-20(17)14-3-5-15(6-4-14)22-29-18-12-16(23(25,26)27)13-19(21(18)30-22)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,29,30)
InChIKeyXQAXAGXXZYIKMF-UHFFFAOYSA-N
MW458.87 g/mol
LogP5.80
Rot. Bonds3

About 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine

4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine (PubChem CID 11547078) has the molecular formula C23H18ClF3N4O and a molecular weight of 458.87 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine
PubChem CID11547078
Molecular FormulaC23H18ClF3N4O
Molecular Weight458.87 g/mol
Exact Mass458.11
IUPAC Name4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)c2nc(-c3ccc(-c4ncccc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C23H18ClF3N4O/c24-17-2-1-7-28-20(17)14-3-5-15(6-4-14)22-29-18-12-16(23(25,26)27)13-19(21(18)30-22)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,29,30)
InChIKeyXQAXAGXXZYIKMF-UHFFFAOYSA-N
XLogP5.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine (CID 11547078) is 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine is FC(F)(F)c1cc(N2CCOCC2)c2nc(-c3ccc(-c4ncccc4Cl)cc3)[nH]c2c1.
What is the InChIKey of 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine?
The InChIKey is XQAXAGXXZYIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O/c24-17-2-1-7-28-20(17)14-3-5-15(6-4-14)22-29-18-12-16(23(25,26)27)13-19(21(18)30-22)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,29,30).
What are the key properties of 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine?
4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine has a molecular weight of 458.87 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine is sourced from PubChem (CID 11547078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).