2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C21H26N6O2 — CID 47035376

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC2CCN(c3ncccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N6O2/c1-2-12-26-17-6-3-4-7-18(17)27(21(26)29)15-19(28)24-16-8-13-25(14-9-16)20-22-10-5-11-23-20/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,24,28)
InChIKeyYOCOLIYLUJXNNO-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.79
Rot. Bonds6

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 47035376) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID47035376
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC2CCN(c3ncccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N6O2/c1-2-12-26-17-6-3-4-7-18(17)27(21(26)29)15-19(28)24-16-8-13-25(14-9-16)20-22-10-5-11-23-20/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,24,28)
InChIKeyYOCOLIYLUJXNNO-UHFFFAOYSA-N
XLogP1.79
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47045303
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 37032041
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 47035376) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is CCCn1c(=O)n(CC(=O)NC2CCN(c3ncccn3)CC2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is YOCOLIYLUJXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-2-12-26-17-6-3-4-7-18(17)27(21(26)29)15-19(28)24-16-8-13-25(14-9-16)20-22-10-5-11-23-20/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,24,28).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 47035376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).