3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one

C14H19N3O2 — CID 118792971

IUPAC3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N3O2/c18-11-10-16(12-13-4-2-1-3-5-13)8-9-17-7-6-15-14(17)19/h1-7,18H,8-12H2,(H,15,19)
InChIKeyFFHWTZKHVMNNBB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds7

About 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one

3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one (PubChem CID 118792971) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one
PubChem CID118792971
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N3O2/c18-11-10-16(12-13-4-2-1-3-5-13)8-9-17-7-6-15-14(17)19/h1-7,18H,8-12H2,(H,15,19)
InChIKeyFFHWTZKHVMNNBB-UHFFFAOYSA-N
XLogP0.67
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
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2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol
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2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
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2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
CID 174765688
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one (CID 118792971) is 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN(CCO)Cc1ccccc1.
What is the InChIKey of 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one?
The InChIKey is FFHWTZKHVMNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11-10-16(12-13-4-2-1-3-5-13)8-9-17-7-6-15-14(17)19/h1-7,18H,8-12H2,(H,15,19).
What are the key properties of 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one?
3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 118792971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).