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

C10H10F2N4 — CID 146217301

IUPACN-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(F)c1C=NNC1=NCCN1
InChIInChI=1S/C10H10F2N4/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)
InChIKeyWEAVTFOLFONTSJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.85
Rot. Bonds2

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

N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 146217301) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID146217301
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC NameN-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(F)c1C=NNC1=NCCN1
InChIInChI=1S/C10H10F2N4/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)
InChIKeyWEAVTFOLFONTSJ-UHFFFAOYSA-N
XLogP0.85
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.85
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-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 146217301) is N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(F)c1C=NNC1=NCCN1.
What is the InChIKey of N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WEAVTFOLFONTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/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).
What are the key properties of N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 224.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 146217301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).