N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine

C15H11ClFN3 — CID 107371346

IUPACN-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nccn2-c2ccccc2)c1
InChIInChI=1S/C15H11ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h1-10H,(H,18,19)
InChIKeyODNSYKDFQADTBF-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.41
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine

N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine (PubChem CID 107371346) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
PubChem CID107371346
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nccn2-c2ccccc2)c1
InChIInChI=1S/C15H11ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h1-10H,(H,18,19)
InChIKeyODNSYKDFQADTBF-UHFFFAOYSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine (CID 107371346) is N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine is Fc1cc(Cl)cc(Nc2nccn2-c2ccccc2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
The InChIKey is ODNSYKDFQADTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h1-10H,(H,18,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine?
N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine has a molecular weight of 287.73 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 107371346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).