N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C18H18ClN3O3S — CID 55463202

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-12(13-7-9-14(19)10-8-13)20-17(23)11-22-16-6-4-3-5-15(16)21-18(22)26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyUKBPAIGXOILRIB-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 55463202) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID55463202
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-12(13-7-9-14(19)10-8-13)20-17(23)11-22-16-6-4-3-5-15(16)21-18(22)26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyUKBPAIGXOILRIB-UHFFFAOYSA-N
XLogP2.97
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 43034758
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 55463202) is N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is CC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is UKBPAIGXOILRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-12(13-7-9-14(19)10-8-13)20-17(23)11-22-16-6-4-3-5-15(16)21-18(22)26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 391.88 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 55463202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).