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

C18H18BrN3O3S — CID 52572499

IUPACN-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C18H18BrN3O3S/c1-26(24,25)12-17-21-15-7-2-3-8-16(15)22(17)11-18(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyCOLVMRWQCZXLSL-UHFFFAOYSA-N
MW436.33 g/mol
LogP2.66
Rot. Bonds6

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

N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 52572499) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID52572499
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C18H18BrN3O3S/c1-26(24,25)12-17-21-15-7-2-3-8-16(15)22(17)11-18(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyCOLVMRWQCZXLSL-UHFFFAOYSA-N
XLogP2.66
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
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
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
4-bromo-1-methyl-N'-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrole-2-carbohydrazide
CID 34479337
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55780594
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 52572499) is N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is COLVMRWQCZXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c1-26(24,25)12-17-21-15-7-2-3-8-16(15)22(17)11-18(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 436.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 52572499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).