5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one

C18H19N5O2 — CID 110772125

IUPAC5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(12-13-4-5-14-15(11-13)21-18(25)20-14)23-9-7-22(8-10-23)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H2,20,21,25)
InChIKeyCBDIHFBFTPNERF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.14
Rot. Bonds3

About 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110772125) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110772125
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(12-13-4-5-14-15(11-13)21-18(25)20-14)23-9-7-22(8-10-23)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H2,20,21,25)
InChIKeyCBDIHFBFTPNERF-UHFFFAOYSA-N
XLogP1.14
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
5-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167796027
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136663273
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 127255241
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
N-tert-butyl-4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813939
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 110772125) is 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CBDIHFBFTPNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(12-13-4-5-14-15(11-13)21-18(25)20-14)23-9-7-22(8-10-23)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H2,20,21,25).
What are the key properties of 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).