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

C10H10ClFN4 — CID 140896117

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C10H10ClFN4/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+
InChIKeyXATCOVUPXQSFBM-GIDUJCDVSA-N
MW240.67 g/mol
LogP1.36
Rot. Bonds2

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

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140896117) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140896117
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C10H10ClFN4/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+
InChIKeyXATCOVUPXQSFBM-GIDUJCDVSA-N
XLogP1.36
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.36
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

CID 9583613
CID 9583613
CID 9570373
CID 9570373
CID 6446338
CID 6446338
CID 9570372
CID 9570372
CID 6443554
CID 6443554
CID 88099756
CID 88099756
CID 88108416
CID 88108416
CID 118358533
CID 118358533
CID 140896089
CID 140896089
CID 140896090
CID 140896090
CID 140896152
CID 140896152
CID 140896154
CID 140896154

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 140896117) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(Cl)c1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XATCOVUPXQSFBM-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H10ClFN4/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-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 240.67 g/mol, XLogP of 1.36, 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-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 140896117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).