4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine

C19H18F3N3OS — CID 54161012

IUPAC4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine
SMILESFC(F)(F)c1ccc2nc(SCc3ccccc3N3CCOCC3)[nH]c2c1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-5-6-15-16(11-14)24-18(23-15)27-12-13-3-1-2-4-17(13)25-7-9-26-10-8-25/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyOOKCLRGKGWEOAI-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.71
Rot. Bonds4

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

4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine (PubChem CID 54161012) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine
PubChem CID54161012
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine
SMILESFC(F)(F)c1ccc2nc(SCc3ccccc3N3CCOCC3)[nH]c2c1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-5-6-15-16(11-14)24-18(23-15)27-12-13-3-1-2-4-17(13)25-7-9-26-10-8-25/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyOOKCLRGKGWEOAI-UHFFFAOYSA-N
XLogP4.71
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2234072
2-[(4-bromophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;hydrobromide
CID 2798753
5-hydroxy-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyran-4-one
CID 75426662
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]ethanethioamide
CID 84614990
2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine
CID 84617046
4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]butan-1-amine
CID 84614974
4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
CID 123818187
2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-2-pyridinyl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;dihydrochloride
CID 23363009
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 46559415

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine?
The IUPAC name of 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine (CID 54161012) is 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine is FC(F)(F)c1ccc2nc(SCc3ccccc3N3CCOCC3)[nH]c2c1.
What is the InChIKey of 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine?
The InChIKey is OOKCLRGKGWEOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)14-5-6-15-16(11-14)24-18(23-15)27-12-13-3-1-2-4-17(13)25-7-9-26-10-8-25/h1-6,11H,7-10,12H2,(H,23,24).
What are the key properties of 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine?
4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine has a molecular weight of 393.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]morpholine is sourced from PubChem (CID 54161012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).