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

C10H10F2N4 — CID 140896154

IUPACN-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(F)c1/C=N/NC1=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)/b15-6+
InChIKeyWEAVTFOLFONTSJ-GIDUJCDVSA-N
MW224.21 g/mol
LogP0.85
Rot. Bonds2

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

N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140896154) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140896154
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC NameN-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(F)c1/C=N/NC1=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)/b15-6+
InChIKeyWEAVTFOLFONTSJ-GIDUJCDVSA-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-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 140896154) is N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(F)c1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WEAVTFOLFONTSJ-GIDUJCDVSA-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)/b15-6+.
What are the key properties of N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-(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-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 140896154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).