1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one

C19H21N5O2 — CID 51320635

IUPAC1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C19H21N5O2/c1-21-15-6-2-3-7-16(15)24(19(21)26)14-18(25)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3
InChIKeyRJLSZQQBVKQRFV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.08
Rot. Bonds3

About 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one

1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 51320635) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
PubChem CID51320635
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C19H21N5O2/c1-21-15-6-2-3-7-16(15)24(19(21)26)14-18(25)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3
InChIKeyRJLSZQQBVKQRFV-UHFFFAOYSA-N
XLogP1.08
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
CID 17493626
2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548921
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 22522590
1-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinolin-2-one
CID 3236276
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one (CID 51320635) is 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is RJLSZQQBVKQRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-21-15-6-2-3-7-16(15)24(19(21)26)14-18(25)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one?
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 51320635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).