2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol

C11H14N2O — CID 44587527

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol
SMILESOc1ccccc1CCC1=NCCN1
InChIInChI=1S/C11H14N2O/c14-10-4-2-1-3-9(10)5-6-11-12-7-8-13-11/h1-4,14H,5-8H2,(H,12,13)
InChIKeyDMDWTZGWAAHPBP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds3

About 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol

2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol (PubChem CID 44587527) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol
PubChem CID44587527
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol
SMILESOc1ccccc1CCC1=NCCN1
InChIInChI=1S/C11H14N2O/c14-10-4-2-1-3-9(10)5-6-11-12-7-8-13-11/h1-4,14H,5-8H2,(H,12,13)
InChIKeyDMDWTZGWAAHPBP-UHFFFAOYSA-N
XLogP1.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol (CID 44587527) is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol is Oc1ccccc1CCC1=NCCN1.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol?
The InChIKey is DMDWTZGWAAHPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-10-4-2-1-3-9(10)5-6-11-12-7-8-13-11/h1-4,14H,5-8H2,(H,12,13).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol?
2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol has a molecular weight of 190.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenol is sourced from PubChem (CID 44587527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).