N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide

C11H15FN4O2S — CID 167743336

IUPACN-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCn1c(NCCNS(C)(=O)=O)nc2ccc(F)cc21
InChIInChI=1S/C11H15FN4O2S/c1-16-10-7-8(12)3-4-9(10)15-11(16)13-5-6-14-19(2,17)18/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMUNPJFWWSZQNBP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.67
Rot. Bonds5

About N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 167743336) has the molecular formula C11H15FN4O2S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide
PubChem CID167743336
Molecular FormulaC11H15FN4O2S
Molecular Weight286.33 g/mol
Exact Mass286.09
IUPAC NameN-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCn1c(NCCNS(C)(=O)=O)nc2ccc(F)cc21
InChIInChI=1S/C11H15FN4O2S/c1-16-10-7-8(12)3-4-9(10)15-11(16)13-5-6-14-19(2,17)18/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMUNPJFWWSZQNBP-UHFFFAOYSA-N
XLogP0.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide (CID 167743336) is N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide is Cn1c(NCCNS(C)(=O)=O)nc2ccc(F)cc21.
What is the InChIKey of N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is MUNPJFWWSZQNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2S/c1-16-10-7-8(12)3-4-9(10)15-11(16)13-5-6-14-19(2,17)18/h3-4,7,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoro-1-methylbenzimidazol-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 167743336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).