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

C11H10ClF3N4 — CID 140896090

IUPACN-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C11H10ClF3N4/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10/h1-3,6H,4-5H2,(H2,16,17,19)/b18-6+
InChIKeyVASYDGMKXJWUMT-NGYBGAFCSA-N
MW290.68 g/mol
LogP2.24
Rot. Bonds2

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

N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140896090) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140896090
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC NameN-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C11H10ClF3N4/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10/h1-3,6H,4-5H2,(H2,16,17,19)/b18-6+
InChIKeyVASYDGMKXJWUMT-NGYBGAFCSA-N
XLogP2.24
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.24
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'}

Analyze N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 140896090) is N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1cccc(Cl)c1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VASYDGMKXJWUMT-NGYBGAFCSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-9-3-1-2-8(11(13,14)15)7(9)6-18-19-10-16-4-5-17-10/h1-3,6H,4-5H2,(H2,16,17,19)/b18-6+.
What are the key properties of N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 290.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 140896090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).