3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol

C15H21N3O — CID 56751771

IUPAC3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol
SMILESCCN(CC)CCn1ccnc1-c1cccc(O)c1
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)10-11-18-9-8-16-15(18)13-6-5-7-14(19)12-13/h5-9,12,19H,3-4,10-11H2,1-2H3
InChIKeyZMKBIPNELSOUGS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds6

About 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol

3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol (PubChem CID 56751771) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol
PubChem CID56751771
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol
SMILESCCN(CC)CCn1ccnc1-c1cccc(O)c1
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)10-11-18-9-8-16-15(18)13-6-5-7-14(19)12-13/h5-9,12,19H,3-4,10-11H2,1-2H3
InChIKeyZMKBIPNELSOUGS-UHFFFAOYSA-N
XLogP2.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol?
The IUPAC name of 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol (CID 56751771) is 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol.
What is the SMILES notation for 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol?
The canonical SMILES for 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol is CCN(CC)CCn1ccnc1-c1cccc(O)c1.
What is the InChIKey of 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol?
The InChIKey is ZMKBIPNELSOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17(4-2)10-11-18-9-8-16-15(18)13-6-5-7-14(19)12-13/h5-9,12,19H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol?
3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)ethyl]imidazol-2-yl]phenol is sourced from PubChem (CID 56751771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).