3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine

C13H15ClFN3 — CID 114488561

IUPAC3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
SMILESCC(C)(C)n1cnc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C13H15ClFN3/c1-13(2,3)18-7-17-11(12(18)16)8-5-4-6-9(14)10(8)15/h4-7H,16H2,1-3H3
InChIKeyPSNBJIIILSKQRG-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.68
Rot. Bonds1

About 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine

3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine (PubChem CID 114488561) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
PubChem CID114488561
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
SMILESCC(C)(C)n1cnc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C13H15ClFN3/c1-13(2,3)18-7-17-11(12(18)16)8-5-4-6-9(14)10(8)15/h4-7H,16H2,1-3H3
InChIKeyPSNBJIIILSKQRG-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine (CID 114488561) is 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine is CC(C)(C)n1cnc(-c2cccc(Cl)c2F)c1N.
What is the InChIKey of 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The InChIKey is PSNBJIIILSKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-13(2,3)18-7-17-11(12(18)16)8-5-4-6-9(14)10(8)15/h4-7H,16H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine has a molecular weight of 267.74 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 114488561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).