5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine

C15H19ClFN3 — CID 81166041

IUPAC5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)c(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H19ClFN3/c1-4-5-13-19-14(15(18)20(13)9(2)3)10-6-7-12(17)11(16)8-10/h6-9H,4-5,18H2,1-3H3
InChIKeyDMXJARWCDVOJIX-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.46
Rot. Bonds4

About 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine

5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine (PubChem CID 81166041) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine
PubChem CID81166041
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)c(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H19ClFN3/c1-4-5-13-19-14(15(18)20(13)9(2)3)10-6-7-12(17)11(16)8-10/h6-9H,4-5,18H2,1-3H3
InChIKeyDMXJARWCDVOJIX-UHFFFAOYSA-N
XLogP4.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine (CID 81166041) is 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine is CCCc1nc(-c2ccc(F)c(Cl)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
The InChIKey is DMXJARWCDVOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-4-5-13-19-14(15(18)20(13)9(2)3)10-6-7-12(17)11(16)8-10/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine?
5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine has a molecular weight of 295.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine is sourced from PubChem (CID 81166041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).