N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine

C17H19FN4O2S — CID 131926246

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H19FN4O2S/c1-21(11-13-6-4-3-5-7-13)25(23,24)22(2)12-17-19-15-9-8-14(18)10-16(15)20-17/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyAKYPIXTWVKISSX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.51
Rot. Bonds6

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine (PubChem CID 131926246) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
PubChem CID131926246
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H19FN4O2S/c1-21(11-13-6-4-3-5-7-13)25(23,24)22(2)12-17-19-15-9-8-14(18)10-16(15)20-17/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyAKYPIXTWVKISSX-UHFFFAOYSA-N
XLogP2.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 131900540
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 25284756
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70742457
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine (CID 131926246) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine?
The InChIKey is AKYPIXTWVKISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-21(11-13-6-4-3-5-7-13)25(23,24)22(2)12-17-19-15-9-8-14(18)10-16(15)20-17/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine has a molecular weight of 362.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 131926246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).