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

C9H10N2O — CID 135417369

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)phenol
SMILESOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-4,12H,5-6H2,(H,10,11)
InChIKeyNPDVQVNFWYFKNU-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.74
Rot. Bonds1

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

4-(4,5-dihydro-1H-imidazol-2-yl)phenol (PubChem CID 135417369) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)phenol
PubChem CID135417369
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)phenol
SMILESOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-4,12H,5-6H2,(H,10,11)
InChIKeyNPDVQVNFWYFKNU-UHFFFAOYSA-N
XLogP0.74
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)phenol (CID 135417369) is 4-(4,5-dihydro-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)phenol is Oc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The InChIKey is NPDVQVNFWYFKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-4,12H,5-6H2,(H,10,11).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
4-(4,5-dihydro-1H-imidazol-2-yl)phenol has a molecular weight of 162.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 135417369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).