4-(2,6-difluorophenyl)imidazole-1,5-diamine

C9H8F2N4 — CID 62481561

IUPAC4-(2,6-difluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2c(F)cccc2F)ncn1N
InChIInChI=1S/C9H8F2N4/c10-5-2-1-3-6(11)7(5)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyFTKCYBNTFQKANK-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.12
Rot. Bonds1

About 4-(2,6-difluorophenyl)imidazole-1,5-diamine

4-(2,6-difluorophenyl)imidazole-1,5-diamine (PubChem CID 62481561) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)imidazole-1,5-diamine
PubChem CID62481561
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name4-(2,6-difluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2c(F)cccc2F)ncn1N
InChIInChI=1S/C9H8F2N4/c10-5-2-1-3-6(11)7(5)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyFTKCYBNTFQKANK-UHFFFAOYSA-N
XLogP1.12
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)imidazole-1,5-diamine?
The IUPAC name of 4-(2,6-difluorophenyl)imidazole-1,5-diamine (CID 62481561) is 4-(2,6-difluorophenyl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(2,6-difluorophenyl)imidazole-1,5-diamine?
The canonical SMILES for 4-(2,6-difluorophenyl)imidazole-1,5-diamine is Nc1c(-c2c(F)cccc2F)ncn1N.
What is the InChIKey of 4-(2,6-difluorophenyl)imidazole-1,5-diamine?
The InChIKey is FTKCYBNTFQKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-5-2-1-3-6(11)7(5)8-9(12)15(13)4-14-8/h1-4H,12-13H2.
What are the key properties of 4-(2,6-difluorophenyl)imidazole-1,5-diamine?
4-(2,6-difluorophenyl)imidazole-1,5-diamine has a molecular weight of 210.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)imidazole-1,5-diamine is sourced from PubChem (CID 62481561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).