2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide

C18H26N4O3S — CID 92633758

IUPAC2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1cnc2cc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C18H26N4O3S/c1-3-8-21-13-19-16-12-15(4-5-17(16)21)20-18(23)11-14-6-9-22(10-7-14)26(2,24)25/h4-5,12-14H,3,6-11H2,1-2H3,(H,20,23)
InChIKeyRLGLCQWPHJGMBT-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.45
Rot. Bonds6

About 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide

2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide (PubChem CID 92633758) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
PubChem CID92633758
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1cnc2cc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C18H26N4O3S/c1-3-8-21-13-19-16-12-15(4-5-17(16)21)20-18(23)11-14-6-9-22(10-7-14)26(2,24)25/h4-5,12-14H,3,6-11H2,1-2H3,(H,20,23)
InChIKeyRLGLCQWPHJGMBT-UHFFFAOYSA-N
XLogP2.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170
dimethyl (E)-2-[(1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168566292
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
CID 118776234
N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 124979019
3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 98138865
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124987
7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 74236196
N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124967

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide (CID 92633758) is 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide is CCCn1cnc2cc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)ccc21.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide?
The InChIKey is RLGLCQWPHJGMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-8-21-13-19-16-12-15(4-5-17(16)21)20-18(23)11-14-6-9-22(10-7-14)26(2,24)25/h4-5,12-14H,3,6-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide?
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 92633758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).