2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine

C13H16F2N4 — CID 106531957

IUPAC2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(-c2cc(F)cc(F)c2)c(N)n1N
InChIInChI=1S/C13H16F2N4/c1-13(2,3)12-18-10(11(16)19(12)17)7-4-8(14)6-9(15)5-7/h4-6H,16-17H2,1-3H3
InChIKeyVRIDZGHJQYIFLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds1

About 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine

2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine (PubChem CID 106531957) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine
PubChem CID106531957
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(-c2cc(F)cc(F)c2)c(N)n1N
InChIInChI=1S/C13H16F2N4/c1-13(2,3)12-18-10(11(16)19(12)17)7-4-8(14)6-9(15)5-7/h4-6H,16-17H2,1-3H3
InChIKeyVRIDZGHJQYIFLB-UHFFFAOYSA-N
XLogP2.42
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine?
The IUPAC name of 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine (CID 106531957) is 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine is CC(C)(C)c1nc(-c2cc(F)cc(F)c2)c(N)n1N.
What is the InChIKey of 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine?
The InChIKey is VRIDZGHJQYIFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-13(2,3)12-18-10(11(16)19(12)17)7-4-8(14)6-9(15)5-7/h4-6H,16-17H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine?
2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine is sourced from PubChem (CID 106531957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).