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

C16H19ClFN3 — CID 114454475

IUPAC2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
SMILESCC(C)(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C1CC1
InChIInChI=1S/C16H19ClFN3/c1-16(2,3)15-20-13(14(19)21(15)12-4-5-12)9-6-10(17)8-11(18)7-9/h6-8,12H,4-5,19H2,1-3H3
InChIKeyMCFFUGGYBNNNOP-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.56
Rot. Bonds2

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

2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine (PubChem CID 114454475) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
PubChem CID114454475
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
SMILESCC(C)(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C1CC1
InChIInChI=1S/C16H19ClFN3/c1-16(2,3)15-20-13(14(19)21(15)12-4-5-12)9-6-10(17)8-11(18)7-9/h6-8,12H,4-5,19H2,1-3H3
InChIKeyMCFFUGGYBNNNOP-UHFFFAOYSA-N
XLogP4.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine (CID 114454475) is 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine is CC(C)(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C1CC1.
What is the InChIKey of 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine?
The InChIKey is MCFFUGGYBNNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-16(2,3)15-20-13(14(19)21(15)12-4-5-12)9-6-10(17)8-11(18)7-9/h6-8,12H,4-5,19H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine?
2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine is sourced from PubChem (CID 114454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).