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

C10H12ClFN4 — CID 146217223

IUPACN-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccccc1C=NNC1=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
InChIKeyUGEKXHHWVOEUMK-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.13
Rot. Bonds2

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

N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 146217223) has the molecular formula C10H12ClFN4 and a molecular weight of 242.69 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID146217223
Molecular FormulaC10H12ClFN4
Molecular Weight242.69 g/mol
Exact Mass242.07
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccccc1C=NNC1=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
InChIKeyUGEKXHHWVOEUMK-UHFFFAOYSA-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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Related Compounds

1-phenylethan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9583612
N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 45263576
N-[(E)-(2,6-dimethylphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 13975372
N-[(Z)-1-phenylethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5714211
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 9582913
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5712462
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 9582915
N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 44435738
6-[2-[(4-Fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one
CID 67597358
6-[2-[(4-Fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurine-2-thione
CID 88309042
(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium
CID 123248387
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896117

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 146217223) is N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Fc1ccccc1C=NNC1=NCCN1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is UGEKXHHWVOEUMK-UHFFFAOYSA-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.
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(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-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 146217223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).