3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C19H27N5O3 — CID 146599064

IUPAC3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNCCCN(C)Cc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C19H27N5O3/c1-20-10-5-11-22(2)12-13-6-4-7-14-17(13)23(3)19(27)24(14)15-8-9-16(25)21-18(15)26/h4,6-7,15,20H,5,8-12H2,1-3H3,(H,21,25,26)
InChIKeyHIPLCRXWFBIREC-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.36
Rot. Bonds7

About 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 146599064) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID146599064
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNCCCN(C)Cc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C19H27N5O3/c1-20-10-5-11-22(2)12-13-6-4-7-14-17(13)23(3)19(27)24(14)15-8-9-16(25)21-18(15)26/h4,6-7,15,20H,5,8-12H2,1-3H3,(H,21,25,26)
InChIKeyHIPLCRXWFBIREC-UHFFFAOYSA-N
XLogP0.36
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione 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

3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-[3-methyl-4-[[4-(methylamino)piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138696058
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
tert-butyl N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]carbamate
CID 138696063
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287
3-[4-[3-(3,9-diazaspiro[5.5]undecan-3-yl)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146599142
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butanoate
CID 146598344
(1R,5S)-3-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146599111
tert-butyl N-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695774

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 146599064) is 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CNCCCN(C)Cc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is HIPLCRXWFBIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-20-10-5-11-22(2)12-13-6-4-7-14-17(13)23(3)19(27)24(14)15-8-9-16(25)21-18(15)26/h4,6-7,15,20H,5,8-12H2,1-3H3,(H,21,25,26).
What are the key properties of 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 373.46 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[[methyl-[3-(methylamino)propyl]amino]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).