5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one

C23H24F3N5OS — CID 58397421

IUPAC5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C
InChIInChI=1S/C23H24F3N5OS/c1-30(2)11-5-4-6-19(32)14-7-10-18-17(12-14)27-21(31(18)3)29-22-28-16-9-8-15(23(24,25)26)13-20(16)33-22/h7-10,12-13H,4-6,11H2,1-3H3,(H,27,28,29)
InChIKeyOLBFAJPKMDJHOF-UHFFFAOYSA-N
MW475.54 g/mol
LogP5.86
Rot. Bonds8

About 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one

5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one (PubChem CID 58397421) has the molecular formula C23H24F3N5OS and a molecular weight of 475.54 g/mol. Its IUPAC name is 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
PubChem CID58397421
Molecular FormulaC23H24F3N5OS
Molecular Weight475.54 g/mol
Exact Mass475.17
IUPAC Name5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C
InChIInChI=1S/C23H24F3N5OS/c1-30(2)11-5-4-6-19(32)14-7-10-18-17(12-14)27-21(31(18)3)29-22-28-16-9-8-15(23(24,25)26)13-20(16)33-22/h7-10,12-13H,4-6,11H2,1-3H3,(H,27,28,29)
InChIKeyOLBFAJPKMDJHOF-UHFFFAOYSA-N
XLogP5.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one 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

N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10194689
2-(ethylcarbamoylamino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25153946
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 5062408
phenyl-(2-thiazol-4-yl-1H-benzoimidazol-5-yl)-methanone
CID 11587570
(R)-1-((1-acryloylpyrrolidin-2-yl)methyl)-2-(5-(difluoromethyl)-thiophene-2-carboxamido)-N-neopentyl-1H-benzo[d]imidazole-5-carboxamide
CID 90045159
N-(1-propylbenzimidazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 16279319
N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17493268
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 25510950
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 32182290
2,6-difluoro-N-[4-(1-propan-2-ylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 72163920
N-(1,3-benzothiazol-2-yl)-2,1,3-benzoselenadiazole-5-carboxamide
CID 145986372

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one?
The IUPAC name of 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one (CID 58397421) is 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one.
What is the SMILES notation for 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one?
The canonical SMILES for 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one is CN(C)CCCCC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C.
What is the InChIKey of 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one?
The InChIKey is OLBFAJPKMDJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5OS/c1-30(2)11-5-4-6-19(32)14-7-10-18-17(12-14)27-21(31(18)3)29-22-28-16-9-8-15(23(24,25)26)13-20(16)33-22/h7-10,12-13H,4-6,11H2,1-3H3,(H,27,28,29).
What are the key properties of 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one?
5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one has a molecular weight of 475.54 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one is sourced from PubChem (CID 58397421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).