N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C22H23N5OS — CID 52564763

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cc(C)nn1Cc1ccccc1
InChIInChI=1S/C22H23N5OS/c1-16-12-20(27(25-16)13-17-8-4-3-5-9-17)24-22(28)14-26-19-11-7-6-10-18(19)23-21(26)15-29-2/h3-12H,13-15H2,1-2H3,(H,24,28)
InChIKeyNWCVZYAUCSBYEX-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.09
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 52564763) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID52564763
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cc(C)nn1Cc1ccccc1
InChIInChI=1S/C22H23N5OS/c1-16-12-20(27(25-16)13-17-8-4-3-5-9-17)24-22(28)14-26-19-11-7-6-10-18(19)23-21(26)15-29-2/h3-12H,13-15H2,1-2H3,(H,24,28)
InChIKeyNWCVZYAUCSBYEX-UHFFFAOYSA-N
XLogP4.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
N-(2-methyl-5-nitrophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 37347553
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
2-methyl-2-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696565
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N,N-diethyl-4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 17467311
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 52564763) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1cc(C)nn1Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is NWCVZYAUCSBYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-16-12-20(27(25-16)13-17-8-4-3-5-9-17)24-22(28)14-26-19-11-7-6-10-18(19)23-21(26)15-29-2/h3-12H,13-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 405.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 52564763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).