3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol

C10H13N3O — CID 12774559

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol
SMILESOc1cccc(NCC2=NCCN2)c1
InChIInChI=1S/C10H13N3O/c14-9-3-1-2-8(6-9)13-7-10-11-4-5-12-10/h1-3,6,13-14H,4-5,7H2,(H,11,12)
InChIKeyUDIUQEYOECRTHA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.81
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol

3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol (PubChem CID 12774559) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol
PubChem CID12774559
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol
SMILESOc1cccc(NCC2=NCCN2)c1
InChIInChI=1S/C10H13N3O/c14-9-3-1-2-8(6-9)13-7-10-11-4-5-12-10/h1-3,6,13-14H,4-5,7H2,(H,11,12)
InChIKeyUDIUQEYOECRTHA-UHFFFAOYSA-N
XLogP0.81
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol (CID 12774559) is 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol is Oc1cccc(NCC2=NCCN2)c1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol?
The InChIKey is UDIUQEYOECRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-9-3-1-2-8(6-9)13-7-10-11-4-5-12-10/h1-3,6,13-14H,4-5,7H2,(H,11,12).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol?
3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol has a molecular weight of 191.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenol is sourced from PubChem (CID 12774559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).