2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C22H18F3N5O2S — CID 58279405

IUPAC2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3C(F)(F)F)nc12
InChIInChI=1S/C22H18F3N5O2S/c23-22(24,25)16-12-13(30-7-9-32-10-8-30)4-5-14(16)19-27-17-3-1-2-15(18(17)28-19)20(31)29-21-26-6-11-33-21/h1-6,11-12H,7-10H2,(H,27,28)(H,26,29,31)
InChIKeyVTQGKAYMLKSUOL-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.79
Rot. Bonds4

About 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58279405) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58279405
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC Name2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3C(F)(F)F)nc12
InChIInChI=1S/C22H18F3N5O2S/c23-22(24,25)16-12-13(30-7-9-32-10-8-30)4-5-14(16)19-27-17-3-1-2-15(18(17)28-19)20(31)29-21-26-6-11-33-21/h1-6,11-12H,7-10H2,(H,27,28)(H,26,29,31)
InChIKeyVTQGKAYMLKSUOL-UHFFFAOYSA-N
XLogP4.79
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-[4-(2-methylidenemorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946496
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279301
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279051
2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
2-[4-(3-fluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 76739437
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946420
2-[4-(2,3-dihydroxypropoxy)-2-methylphenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 76739455
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 76739432

Frequently Asked Questions

What is the IUPAC name of 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58279405) is 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3C(F)(F)F)nc12.
What is the InChIKey of 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is VTQGKAYMLKSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c23-22(24,25)16-12-13(30-7-9-32-10-8-30)4-5-14(16)19-27-17-3-1-2-15(18(17)28-19)20(31)29-21-26-6-11-33-21/h1-6,11-12H,7-10H2,(H,27,28)(H,26,29,31).
What are the key properties of 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).