5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

C14H21N3O3 — CID 17155553

IUPAC5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCCOCCO)ccc21
InChIInChI=1S/C14H21N3O3/c1-16-12-4-3-11(9-13(12)17(2)14(16)19)10-15-5-7-20-8-6-18/h3-4,9,15,18H,5-8,10H2,1-2H3
InChIKeyZNZQEIYXSAQRCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.02
Rot. Bonds7

About 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 17155553) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID17155553
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCCOCCO)ccc21
InChIInChI=1S/C14H21N3O3/c1-16-12-4-3-11(9-13(12)17(2)14(16)19)10-15-5-7-20-8-6-18/h3-4,9,15,18H,5-8,10H2,1-2H3
InChIKeyZNZQEIYXSAQRCW-UHFFFAOYSA-N
XLogP-0.02
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 17155553) is 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNCCOCCO)ccc21.
What is the InChIKey of 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is ZNZQEIYXSAQRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-12-4-3-11(9-13(12)17(2)14(16)19)10-15-5-7-20-8-6-18/h3-4,9,15,18H,5-8,10H2,1-2H3.
What are the key properties of 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 17155553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).