N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C10H12Cl3N3O — CID 88771912

IUPACN-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CONC1=NCCN1
InChIInChI=1S/C10H11Cl2N3O.ClH/c11-8-2-1-3-9(12)7(8)6-16-15-10-13-4-5-14-10;/h1-3H,4-6H2,(H2,13,14,15);1H
InChIKeyBAOKAMKAOVFROH-UHFFFAOYSA-N
MW296.58 g/mol
LogP2.40
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 88771912) has the molecular formula C10H12Cl3N3O and a molecular weight of 296.58 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID88771912
Molecular FormulaC10H12Cl3N3O
Molecular Weight296.58 g/mol
Exact Mass295.00
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CONC1=NCCN1
InChIInChI=1S/C10H11Cl2N3O.ClH/c11-8-2-1-3-9(12)7(8)6-16-15-10-13-4-5-14-10;/h1-3H,4-6H2,(H2,13,14,15);1H
InChIKeyBAOKAMKAOVFROH-UHFFFAOYSA-N
XLogP2.40
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 88771912) is N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Clc1cccc(Cl)c1CONC1=NCCN1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is BAOKAMKAOVFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O.ClH/c11-8-2-1-3-9(12)7(8)6-16-15-10-13-4-5-14-10;/h1-3H,4-6H2,(H2,13,14,15);1H.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 296.58 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 88771912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).