N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C19H22FN5O2S — CID 67988670

IUPACN-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2F)nc2ccccc21
InChIInChI=1S/C19H22FN5O2S/c1-24-17-6-4-3-5-16(17)22-19(24)14-11-18(21-12-15(14)20)25-9-7-13(8-10-25)23-28(2,26)27/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeySLWWHNQIFVIJBJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.29
Rot. Bonds4

About N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67988670) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67988670
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC NameN-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2F)nc2ccccc21
InChIInChI=1S/C19H22FN5O2S/c1-24-17-6-4-3-5-16(17)22-19(24)14-11-18(21-12-15(14)20)25-9-7-13(8-10-25)23-28(2,26)27/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeySLWWHNQIFVIJBJ-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
CID 67971597
N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 67971545
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971570
8-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-methyl-2-methylidene-1-oxa-3,8-diazaspiro[4.5]decane;2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;N-[ethyl(dihydroxy)-λ4-sulfanyl]-1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-amine;1-[4-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2-methylpropan-2-ol
CID 159079974
2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole
CID 86667087
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]piperazine-2,3-dione
CID 67971818
(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 162144867
1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(propyl)-λ4-sulfanyl]azetidin-3-amine
CID 159236022
3-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123191728
2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 123584150
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-1,4-diazepan-5-one
CID 67971123

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67988670) is N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is Cn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2F)nc2ccccc21.
What is the InChIKey of N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SLWWHNQIFVIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-24-17-6-4-3-5-16(17)22-19(24)14-11-18(21-12-15(14)20)25-9-7-13(8-10-25)23-28(2,26)27/h3-6,11-13,23H,7-10H2,1-2H3.
What are the key properties of N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 403.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67988670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).