N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine

C10H13N3O — CID 11735657

IUPACN-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(CONC2=NCCN2)cc1
InChIInChI=1S/C10H13N3O/c1-2-4-9(5-3-1)8-14-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13)
InChIKeyYKLQJGKYZVEROK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.67
Rot. Bonds3

About N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine

N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11735657) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11735657
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(CONC2=NCCN2)cc1
InChIInChI=1S/C10H13N3O/c1-2-4-9(5-3-1)8-14-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13)
InChIKeyYKLQJGKYZVEROK-UHFFFAOYSA-N
XLogP0.67
TPSA45.65 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pentyl-(1-phenethyloxy-4,5-dihydro-1H-imidazol-2-yl)-amine
CID 9860374
(1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-amine
CID 10038305
1-phenylmethoxy-N-propyl-4,5-dihydroimidazol-2-amine
CID 44336951
N-butyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336952
N-hexyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336953
1-[(4-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336963
1-[(4-fluorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336971
1-[(3-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44337176
N-cyclopropyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337183
1-[(3-fluorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44337192
N-benzyl-1-(benzyloxy)-4,5-dihydro-1H-imidazol-2-amine
CID 44337196
1-phenylmethoxy-N-(3-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 44337234

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine (CID 11735657) is N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine is c1ccc(CONC2=NCCN2)cc1.
What is the InChIKey of N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YKLQJGKYZVEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-4-9(5-3-1)8-14-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13).
What are the key properties of N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine?
N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 191.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).