2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol

C14H21N3O2 — CID 54906324

IUPAC2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
SMILESCCn1c(CNCCOCCO)nc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-15-7-9-19-10-8-18/h3-6,15,18H,2,7-11H2,1H3
InChIKeyFRGQQAVVIUHTAS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol

2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol (PubChem CID 54906324) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
PubChem CID54906324
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
SMILESCCn1c(CNCCOCCO)nc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-15-7-9-19-10-8-18/h3-6,15,18H,2,7-11H2,1H3
InChIKeyFRGQQAVVIUHTAS-UHFFFAOYSA-N
XLogP1.15
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol (CID 54906324) is 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol is CCn1c(CNCCOCCO)nc2ccccc21.
What is the InChIKey of 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is FRGQQAVVIUHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-15-7-9-19-10-8-18/h3-6,15,18H,2,7-11H2,1H3.
What are the key properties of 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 54906324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).