4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine

C9H8ClFN4 — CID 114454482

IUPAC4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2cc(F)cc(Cl)c2)ncn1N
InChIInChI=1S/C9H8ClFN4/c10-6-1-5(2-7(11)3-6)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyOCDSSHIISWSQEV-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.64
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine

4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine (PubChem CID 114454482) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
PubChem CID114454482
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2cc(F)cc(Cl)c2)ncn1N
InChIInChI=1S/C9H8ClFN4/c10-6-1-5(2-7(11)3-6)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyOCDSSHIISWSQEV-UHFFFAOYSA-N
XLogP1.64
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine (CID 114454482) is 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine is Nc1c(-c2cc(F)cc(Cl)c2)ncn1N.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine?
The InChIKey is OCDSSHIISWSQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-6-1-5(2-7(11)3-6)8-9(12)15(13)4-14-8/h1-4H,12-13H2.
What are the key properties of 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine?
4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine has a molecular weight of 226.64 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine is sourced from PubChem (CID 114454482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).