5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine

C14H17ClFN3 — CID 62219752

IUPAC5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)c(N)n1CC
InChIInChI=1S/C14H17ClFN3/c1-3-5-12-18-13(14(17)19(12)4-2)9-6-7-10(15)11(16)8-9/h6-8H,3-5,17H2,1-2H3
InChIKeyBMNUDGKCAVHXIM-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.90
Rot. Bonds4

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

5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine (PubChem CID 62219752) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
PubChem CID62219752
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)c(N)n1CC
InChIInChI=1S/C14H17ClFN3/c1-3-5-12-18-13(14(17)19(12)4-2)9-6-7-10(15)11(16)8-9/h6-8H,3-5,17H2,1-2H3
InChIKeyBMNUDGKCAVHXIM-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine (CID 62219752) is 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine is CCCc1nc(-c2ccc(Cl)c(F)c2)c(N)n1CC.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine?
The InChIKey is BMNUDGKCAVHXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-5-12-18-13(14(17)19(12)4-2)9-6-7-10(15)11(16)8-9/h6-8H,3-5,17H2,1-2H3.
What are the key properties of 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine?
5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine has a molecular weight of 281.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).