N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

C18H20F3N5OS — CID 25330174

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H20F3N5OS/c1-4-7-26-14-9-12(18(19,20)21)5-6-13(14)22-17(26)28-10-16(27)23-15-8-11(2)24-25(15)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,23,27)
InChIKeyLCVNQAYXKLQGJQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.24
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 25330174) has the molecular formula C18H20F3N5OS and a molecular weight of 411.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID25330174
Molecular FormulaC18H20F3N5OS
Molecular Weight411.45 g/mol
Exact Mass411.13
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H20F3N5OS/c1-4-7-26-14-9-12(18(19,20)21)5-6-13(14)22-17(26)28-10-16(27)23-15-8-11(2)24-25(15)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,23,27)
InChIKeyLCVNQAYXKLQGJQ-UHFFFAOYSA-N
XLogP4.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide 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-chloro-3-pyridinyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25341657
N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282974
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
N-(2,5-dimethylpyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 51287626
N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25324095
1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 31436504
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 78857377
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1-propyl-6-(trifluoromethyl)benzimidazole
CID 52662321
2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 55422121
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46623360
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 42899994

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (CID 25330174) is N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is CCCn1c(SCC(=O)Nc2cc(C)nn2C)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is LCVNQAYXKLQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5OS/c1-4-7-26-14-9-12(18(19,20)21)5-6-13(14)22-17(26)28-10-16(27)23-15-8-11(2)24-25(15)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,23,27).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 411.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 25330174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).