5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

C15H20FN3 — CID 62219797

IUPAC5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2ccccc2F)c(N)n1C(C)C
InChIInChI=1S/C15H20FN3/c1-9(2)15-18-13(14(17)19(15)10(3)4)11-7-5-6-8-12(11)16/h5-10H,17H2,1-4H3
InChIKeyQMKSDAPXQRQVJG-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.98
Rot. Bonds3

About 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (PubChem CID 62219797) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
PubChem CID62219797
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2ccccc2F)c(N)n1C(C)C
InChIInChI=1S/C15H20FN3/c1-9(2)15-18-13(14(17)19(15)10(3)4)11-7-5-6-8-12(11)16/h5-10H,17H2,1-4H3
InChIKeyQMKSDAPXQRQVJG-UHFFFAOYSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The IUPAC name of 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (CID 62219797) is 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is CC(C)c1nc(-c2ccccc2F)c(N)n1C(C)C.
What is the InChIKey of 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The InChIKey is QMKSDAPXQRQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-9(2)15-18-13(14(17)19(15)10(3)4)11-7-5-6-8-12(11)16/h5-10H,17H2,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is sourced from PubChem (CID 62219797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).