4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline

C10H13N3O — CID 10081267

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline
SMILESNc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
InChIKeyJXMZWLUVWQRPEO-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.65
Rot. Bonds3

About 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline

4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline (PubChem CID 10081267) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline
PubChem CID10081267
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline
SMILESNc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
InChIKeyJXMZWLUVWQRPEO-UHFFFAOYSA-N
XLogP0.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline (CID 10081267) is 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline is Nc1ccc(OCC2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline?
The InChIKey is JXMZWLUVWQRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline?
4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline has a molecular weight of 191.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline is sourced from PubChem (CID 10081267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).