N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide

C14H16FN5O2S — CID 131900540

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cn1C
InChIInChI=1S/C14H16FN5O2S/c1-9-16-14(8-19(9)2)23(21,22)20(3)7-13-17-11-5-4-10(15)6-12(11)18-13/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyOGXDIIKXJZWHHT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.56
Rot. Bonds4

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 131900540) has the molecular formula C14H16FN5O2S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID131900540
Molecular FormulaC14H16FN5O2S
Molecular Weight337.38 g/mol
Exact Mass337.10
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cn1C
InChIInChI=1S/C14H16FN5O2S/c1-9-16-14(8-19(9)2)23(21,22)20(3)7-13-17-11-5-4-10(15)6-12(11)18-13/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyOGXDIIKXJZWHHT-UHFFFAOYSA-N
XLogP1.56
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
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N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
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N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686
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
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 131900540) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cn1C.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is OGXDIIKXJZWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2S/c1-9-16-14(8-19(9)2)23(21,22)20(3)7-13-17-11-5-4-10(15)6-12(11)18-13/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 337.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 131900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).