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

C10H11FN4 — CID 140896152

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccccc1/C=N/NC1=NCCN1
InChIInChI=1S/C10H11FN4/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)/b14-7+
InChIKeyHBUOTUPIJRQGPK-VGOFMYFVSA-N
MW206.22 g/mol
LogP0.71
Rot. Bonds2

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

N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140896152) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140896152
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccccc1/C=N/NC1=NCCN1
InChIInChI=1S/C10H11FN4/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)/b14-7+
InChIKeyHBUOTUPIJRQGPK-VGOFMYFVSA-N
XLogP0.71
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.71
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

4-Fluorobenzaldehyde N-ethylthiosemicarbazone
CID 6904596
1-phenylethan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9583612
4-tert-butylbenzaldehyde 4,5-dihydro-1H-imidazol-2-yl(methyl)hydrazone
CID 9648279
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
1-Ethyl-3-[(4-fluorophenyl)methylideneamino]thiourea
CID 1991625
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5712462
1-ethyl-3-[(E)-(3-fluorophenyl)methylideneamino]thiourea
CID 6904631
1-ethyl-3-[(E)-(2-fluorophenyl)methylideneamino]thiourea
CID 6904635
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 9582915

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 140896152) is N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccccc1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HBUOTUPIJRQGPK-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H11FN4/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)/b14-7+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 206.22 g/mol, XLogP of 0.71, 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 is sourced from PubChem (CID 140896152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).