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

C10H11Cl3N4 — CID 146217277

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1C=NNC1=NCCN1
InChIInChI=1S/C10H10Cl2N4.ClH/c11-8-2-1-3-9(12)7(8)6-15-16-10-13-4-5-14-10;/h1-3,6H,4-5H2,(H2,13,14,16);1H
InChIKeyXVCCWPUVYGUTMD-UHFFFAOYSA-N
MW293.58 g/mol
LogP2.30
Rot. Bonds2

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

N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 146217277) has the molecular formula C10H11Cl3N4 and a molecular weight of 293.58 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID146217277
Molecular FormulaC10H11Cl3N4
Molecular Weight293.58 g/mol
Exact Mass292.00
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1C=NNC1=NCCN1
InChIInChI=1S/C10H10Cl2N4.ClH/c11-8-2-1-3-9(12)7(8)6-15-16-10-13-4-5-14-10;/h1-3,6H,4-5H2,(H2,13,14,16);1H
InChIKeyXVCCWPUVYGUTMD-UHFFFAOYSA-N
XLogP2.30
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 146217277) is N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Clc1cccc(Cl)c1C=NNC1=NCCN1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is XVCCWPUVYGUTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4.ClH/c11-8-2-1-3-9(12)7(8)6-15-16-10-13-4-5-14-10;/h1-3,6H,4-5H2,(H2,13,14,16);1H.
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 293.58 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 146217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).