(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide

C18H19N3O3S — CID 52535721

IUPAC(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-13(25(2,23)24)18(22)19-11-14-7-9-15(10-8-14)21-12-20-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyUOKZMLKRSKANKR-CYBMUJFWSA-N
MW357.44 g/mol
LogP2.07
Rot. Bonds5

About (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide

(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide (PubChem CID 52535721) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
PubChem CID52535721
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-13(25(2,23)24)18(22)19-11-14-7-9-15(10-8-14)21-12-20-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyUOKZMLKRSKANKR-CYBMUJFWSA-N
XLogP2.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119310153
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
CID 111448746
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide (CID 52535721) is (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide is C[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide?
The InChIKey is UOKZMLKRSKANKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(25(2,23)24)18(22)19-11-14-7-9-15(10-8-14)21-12-20-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide?
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide has a molecular weight of 357.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 52535721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).