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

C11H15N3O — CID 116914662

IUPAC5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C
InChIInChI=1S/C11H15N3O/c1-7(14(2)3)8-4-5-9-10(6-8)13-11(15)12-9/h4-7H,1-3H3,(H2,12,13,15)
InChIKeyCMOHRDXGNLUVIG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds2

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

5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116914662) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116914662
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C
InChIInChI=1S/C11H15N3O/c1-7(14(2)3)8-4-5-9-10(6-8)13-11(15)12-9/h4-7H,1-3H3,(H2,12,13,15)
InChIKeyCMOHRDXGNLUVIG-UHFFFAOYSA-N
XLogP1.48
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
CID 116908844
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 116934066
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 116914662) is 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C.
What is the InChIKey of 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CMOHRDXGNLUVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(14(2)3)8-4-5-9-10(6-8)13-11(15)12-9/h4-7H,1-3H3,(H2,12,13,15).
What are the key properties of 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116914662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).