N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C20H25N5O2S — CID 67971545

IUPACN-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1-c1nc2ccccc2n1C
InChIInChI=1S/C20H25N5O2S/c1-14-8-9-18(25-12-10-15(11-13-25)23-28(3,26)27)22-19(14)20-21-16-6-4-5-7-17(16)24(20)2/h4-9,15,23H,10-13H2,1-3H3
InChIKeyBKIYMOXFHWJBEF-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.46
Rot. Bonds4

About N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67971545) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67971545
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1-c1nc2ccccc2n1C
InChIInChI=1S/C20H25N5O2S/c1-14-8-9-18(25-12-10-15(11-13-25)23-28(3,26)27)22-19(14)20-21-16-6-4-5-7-17(16)24(20)2/h4-9,15,23H,10-13H2,1-3H3
InChIKeyBKIYMOXFHWJBEF-UHFFFAOYSA-N
XLogP2.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 67988670
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67971230
4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
CID 71895342
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 163349592
1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
CID 67971597
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
CID 67971270
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67971545) is N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is Cc1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1-c1nc2ccccc2n1C.
What is the InChIKey of N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is BKIYMOXFHWJBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-8-9-18(25-12-10-15(11-13-25)23-28(3,26)27)22-19(14)20-21-16-6-4-5-7-17(16)24(20)2/h4-9,15,23H,10-13H2,1-3H3.
What are the key properties of N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).