N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide

C21H25N5O3S — CID 86777811

IUPACN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H25N5O3S/c1-30(28,29)25-17-7-3-2-6-16(17)21(27)22-15-10-12-26(13-11-15)14-20-23-18-8-4-5-9-19(18)24-20/h2-9,15,25H,10-14H2,1H3,(H,22,27)(H,23,24)
InChIKeyDMLPNZNOWJENJK-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.33
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide

N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide (PubChem CID 86777811) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
PubChem CID86777811
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H25N5O3S/c1-30(28,29)25-17-7-3-2-6-16(17)21(27)22-15-10-12-26(13-11-15)14-20-23-18-8-4-5-9-19(18)24-20/h2-9,15,25H,10-14H2,1H3,(H,22,27)(H,23,24)
InChIKeyDMLPNZNOWJENJK-UHFFFAOYSA-N
XLogP2.33
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 10156977
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 86813158
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2,2-dioxo-2λ6-thia-1-azabicyclo[2.2.2]octane-4-carboxamide
CID 166343396
2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 110252782
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 125433169
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015039
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 110986521
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 167791506
1-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine
CID 110986546
4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 46456209

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide (CID 86777811) is N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide?
The InChIKey is DMLPNZNOWJENJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-30(28,29)25-17-7-3-2-6-16(17)21(27)22-15-10-12-26(13-11-15)14-20-23-18-8-4-5-9-19(18)24-20/h2-9,15,25H,10-14H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide?
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide has a molecular weight of 427.53 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 86777811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).