5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine

C13H15F2N3 — CID 62017750

IUPAC5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H15F2N3/c1-8(2)6-18-7-17-12(13(18)16)9-3-4-10(14)11(15)5-9/h3-5,7-8H,6,16H2,1-2H3
InChIKeyBTKBAYNFMIRXQS-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.07
Rot. Bonds3

About 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62017750) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62017750
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H15F2N3/c1-8(2)6-18-7-17-12(13(18)16)9-3-4-10(14)11(15)5-9/h3-5,7-8H,6,16H2,1-2H3
InChIKeyBTKBAYNFMIRXQS-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62017750) is 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine is CC(C)Cn1cnc(-c2ccc(F)c(F)c2)c1N.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is BTKBAYNFMIRXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8(2)6-18-7-17-12(13(18)16)9-3-4-10(14)11(15)5-9/h3-5,7-8H,6,16H2,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 251.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62017750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).