N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

C24H25N5O2S — CID 24674381

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H25N5O2S/c1-31-14-13-28-21-10-6-5-9-19(21)25-24(28)32-16-23(30)26-22-15-20(17-11-12-17)27-29(22)18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,30)
InChIKeyWVTDDHUWSXZPEL-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.48
Rot. Bonds9

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 24674381) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID24674381
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H25N5O2S/c1-31-14-13-28-21-10-6-5-9-19(21)25-24(28)32-16-23(30)26-22-15-20(17-11-12-17)27-29(22)18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,30)
InChIKeyWVTDDHUWSXZPEL-UHFFFAOYSA-N
XLogP4.48
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3886388
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 30777670
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46685327
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 36804243
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25340406
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 24593283

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide (CID 24674381) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is WVTDDHUWSXZPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-14-13-28-21-10-6-5-9-19(21)25-24(28)32-16-23(30)26-22-15-20(17-11-12-17)27-29(22)18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,30).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 447.56 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 24674381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).