5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C13H20N4O — CID 115198026

IUPAC5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCCCNCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H20N4O/c1-14-6-2-7-15-8-5-10-3-4-11-12(9-10)17-13(18)16-11/h3-4,9,14-15H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyFNDMGTZXHSCOEB-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.60
Rot. Bonds7

About 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115198026) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115198026
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCCCNCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H20N4O/c1-14-6-2-7-15-8-5-10-3-4-11-12(9-10)17-13(18)16-11/h3-4,9,14-15H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyFNDMGTZXHSCOEB-UHFFFAOYSA-N
XLogP0.60
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-hydroxypropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115217079
4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanenitrile
CID 115231960
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
5-[2-[2-(aminomethyl)butylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115251675
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 115198026) is 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CNCCCNCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FNDMGTZXHSCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-6-2-7-15-8-5-10-3-4-11-12(9-10)17-13(18)16-11/h3-4,9,14-15H,2,5-8H2,1H3,(H2,16,17,18).
What are the key properties of 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115198026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).