N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

C15H17N5O3S — CID 35747603

IUPACN-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCn1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n1
InChIInChI=1S/C15H17N5O3S/c1-19-8-7-13(18-19)17-15(21)9-20-12-6-4-3-5-11(12)16-14(20)10-24(2,22)23/h3-8H,9-10H2,1-2H3,(H,17,18,21)
InChIKeyIMVZRGVUXDRAQU-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.95
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 35747603) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID35747603
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCn1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n1
InChIInChI=1S/C15H17N5O3S/c1-19-8-7-13(18-19)17-15(21)9-20-12-6-4-3-5-11(12)16-14(20)10-24(2,22)23/h3-8H,9-10H2,1-2H3,(H,17,18,21)
InChIKeyIMVZRGVUXDRAQU-UHFFFAOYSA-N
XLogP0.95
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30889361
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834
N-[1-(aminomethyl)cyclopentyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119567768
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 112823807
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 78828079

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 35747603) is N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is Cn1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is IMVZRGVUXDRAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-19-8-7-13(18-19)17-15(21)9-20-12-6-4-3-5-11(12)16-14(20)10-24(2,22)23/h3-8H,9-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 35747603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).