N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

C22H28N4O2S — CID 45198431

IUPACN-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESCn1c(CN2CCCC(CNS(=O)(=O)Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H28N4O2S/c1-25-21-12-6-5-11-20(21)24-22(25)16-26-13-7-10-19(15-26)14-23-29(27,28)17-18-8-3-2-4-9-18/h2-6,8-9,11-12,19,23H,7,10,13-17H2,1H3
InChIKeyAZAUCBDYKLEZDI-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.90
Rot. Bonds7

About N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 45198431) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID45198431
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESCn1c(CN2CCCC(CNS(=O)(=O)Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H28N4O2S/c1-25-21-12-6-5-11-20(21)24-22(25)16-26-13-7-10-19(15-26)14-23-29(27,28)17-18-8-3-2-4-9-18/h2-6,8-9,11-12,19,23H,7,10,13-17H2,1H3
InChIKeyAZAUCBDYKLEZDI-UHFFFAOYSA-N
XLogP2.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97275202
N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
CID 124992897
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (CID 45198431) is N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is Cn1c(CN2CCCC(CNS(=O)(=O)Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is AZAUCBDYKLEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-25-21-12-6-5-11-20(21)24-22(25)16-26-13-7-10-19(15-26)14-23-29(27,28)17-18-8-3-2-4-9-18/h2-6,8-9,11-12,19,23H,7,10,13-17H2,1H3.
What are the key properties of N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 45198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).