N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

C16H21FN4O3S — CID 154744987

IUPACN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C16H21FN4O3S/c1-3-9-25(23,24)21-8-4-5-14(21)15(22)19-16-18-12-10-11(17)6-7-13(12)20(16)2/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,18,19,22)
InChIKeyYXVPJPNJSAZSBX-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.86
Rot. Bonds5

About N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 154744987) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID154744987
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1nc2cc(F)ccc2n1C
InChIInChI=1S/C16H21FN4O3S/c1-3-9-25(23,24)21-8-4-5-14(21)15(22)19-16-18-12-10-11(17)6-7-13(12)20(16)2/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,18,19,22)
InChIKeyYXVPJPNJSAZSBX-UHFFFAOYSA-N
XLogP1.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
CID 41015418
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methyl-3-methylsulfonylpropanamide
CID 86778211

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 154744987) is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1nc2cc(F)ccc2n1C.
What is the InChIKey of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YXVPJPNJSAZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-3-9-25(23,24)21-8-4-5-14(21)15(22)19-16-18-12-10-11(17)6-7-13(12)20(16)2/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154744987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).