N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide

C17H17N3O3S — CID 76879730

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
SMILESCC(NC(=O)c1ccccc1S(C)(=O)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O3S/c1-11(16-19-13-8-4-5-9-14(13)20-16)18-17(21)12-7-3-6-10-15(12)24(2,22)23/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYIQXWCWLCNEBY-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide (PubChem CID 76879730) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
PubChem CID76879730
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
SMILESCC(NC(=O)c1ccccc1S(C)(=O)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O3S/c1-11(16-19-13-8-4-5-9-14(13)20-16)18-17(21)12-7-3-6-10-15(12)24(2,22)23/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYIQXWCWLCNEBY-UHFFFAOYSA-N
XLogP2.46
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide (CID 76879730) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide is CC(NC(=O)c1ccccc1S(C)(=O)=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide?
The InChIKey is UYIQXWCWLCNEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11(16-19-13-8-4-5-9-14(13)20-16)18-17(21)12-7-3-6-10-15(12)24(2,22)23/h3-11H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide has a molecular weight of 343.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 76879730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).