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

C13H15F2N3 — CID 62018117

IUPAC3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H15F2N3/c1-2-3-6-18-8-17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyJKGJGKFIZZQXLB-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.21
Rot. Bonds4

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

3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine (PubChem CID 62018117) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
PubChem CID62018117
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H15F2N3/c1-2-3-6-18-8-17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyJKGJGKFIZZQXLB-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine (CID 62018117) is 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine is CCCCn1cnc(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The InChIKey is JKGJGKFIZZQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-2-3-6-18-8-17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6,16H2,1H3.
What are the key properties of 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine?
3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine has a molecular weight of 251.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine is sourced from PubChem (CID 62018117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).