2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C23H24N4O3S2 — CID 112823807

IUPAC2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1sc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O3S2/c1-15(2)22-21(16-9-5-4-6-10-16)26-23(31-22)25-20(28)13-27-18-12-8-7-11-17(18)24-19(27)14-32(3,29)30/h4-12,15H,13-14H2,1-3H3,(H,25,26,28)
InChIKeyDARPNXXARGGJKA-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.47
Rot. Bonds7

About 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 112823807) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID112823807
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1sc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O3S2/c1-15(2)22-21(16-9-5-4-6-10-16)26-23(31-22)25-20(28)13-27-18-12-8-7-11-17(18)24-19(27)14-32(3,29)30/h4-12,15H,13-14H2,1-3H3,(H,25,26,28)
InChIKeyDARPNXXARGGJKA-UHFFFAOYSA-N
XLogP4.47
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 78828079
N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30889361
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
2-[1-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]cyclobutyl]acetic acid
CID 120522002
2-[(4-bromophenyl)methylsulfonyl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 112827270
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-[1-(aminomethyl)cyclopentyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119567768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 112823807) is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1sc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DARPNXXARGGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-15(2)22-21(16-9-5-4-6-10-16)26-23(31-22)25-20(28)13-27-18-12-8-7-11-17(18)24-19(27)14-32(3,29)30/h4-12,15H,13-14H2,1-3H3,(H,25,26,28).
What are the key properties of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 468.60 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 112823807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).