2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol

C14H19N3O — CID 55039440

IUPAC2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
SMILESCCn1ccnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-16-9-8-15-14(16)17(10-11-18)12-13-6-4-3-5-7-13/h3-9,18H,2,10-12H2,1H3
InChIKeyFSYFYOJNUNQNAW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.90
Rot. Bonds6

About 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol

2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol (PubChem CID 55039440) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
PubChem CID55039440
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
SMILESCCn1ccnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-16-9-8-15-14(16)17(10-11-18)12-13-6-4-3-5-7-13/h3-9,18H,2,10-12H2,1H3
InChIKeyFSYFYOJNUNQNAW-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol (CID 55039440) is 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol is CCn1ccnc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol?
The InChIKey is FSYFYOJNUNQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-16-9-8-15-14(16)17(10-11-18)12-13-6-4-3-5-7-13/h3-9,18H,2,10-12H2,1H3.
What are the key properties of 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol?
2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 55039440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).