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

C10H12ClFN4 — CID 140896151

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccccc1/C=N/NC1=NCCN1
InChIInChI=1S/C10H11FN4.ClH/c11-9-4-2-1-3-8(9)7-14-15-10-12-5-6-13-10;/h1-4,7H,5-6H2,(H2,12,13,15);1H/b14-7+;
InChIKeyUGEKXHHWVOEUMK-FJUODKGNSA-N
MW242.69 g/mol
LogP1.13
Rot. Bonds2

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

N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 140896151) has the molecular formula C10H12ClFN4 and a molecular weight of 242.69 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID140896151
Molecular FormulaC10H12ClFN4
Molecular Weight242.69 g/mol
Exact Mass242.07
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccccc1/C=N/NC1=NCCN1
InChIInChI=1S/C10H11FN4.ClH/c11-9-4-2-1-3-8(9)7-14-15-10-12-5-6-13-10;/h1-4,7H,5-6H2,(H2,12,13,15);1H/b14-7+;
InChIKeyUGEKXHHWVOEUMK-FJUODKGNSA-N
XLogP1.13
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.13
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-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 140896151) is N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Fc1ccccc1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is UGEKXHHWVOEUMK-FJUODKGNSA-N. The full InChI is InChI=1S/C10H11FN4.ClH/c11-9-4-2-1-3-8(9)7-14-15-10-12-5-6-13-10;/h1-4,7H,5-6H2,(H2,12,13,15);1H/b14-7+;.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 242.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 140896151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).