5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H9ClFN3 — CID 81156599

IUPAC5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C9H9ClFN3/c10-6-3-5(1-2-7(6)11)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14)
InChIKeyIRSINVIVFZBHSB-UHFFFAOYSA-N
MW213.64 g/mol
LogP1.44
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 81156599) has the molecular formula C9H9ClFN3 and a molecular weight of 213.64 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID81156599
Molecular FormulaC9H9ClFN3
Molecular Weight213.64 g/mol
Exact Mass213.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C9H9ClFN3/c10-6-3-5(1-2-7(6)11)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14)
InChIKeyIRSINVIVFZBHSB-UHFFFAOYSA-N
XLogP1.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 81156599) is 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IRSINVIVFZBHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3/c10-6-3-5(1-2-7(6)11)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 213.64 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 81156599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).