2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine

C12H13F3N4 — CID 62483401

IUPAC2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)c(N)n1N
InChIInChI=1S/C12H13F3N4/c1-2-9-18-10(11(16)19(9)17)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2,16-17H2,1H3
InChIKeyIHEPCNORRUSOSH-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.43
Rot. Bonds2

About 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine

2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine (PubChem CID 62483401) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
PubChem CID62483401
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)c(N)n1N
InChIInChI=1S/C12H13F3N4/c1-2-9-18-10(11(16)19(9)17)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2,16-17H2,1H3
InChIKeyIHEPCNORRUSOSH-UHFFFAOYSA-N
XLogP2.43
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The IUPAC name of 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine (CID 62483401) is 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine.
What is the SMILES notation for 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The canonical SMILES for 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine is CCc1nc(-c2ccc(C(F)(F)F)cc2)c(N)n1N.
What is the InChIKey of 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The InChIKey is IHEPCNORRUSOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-9-18-10(11(16)19(9)17)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2,16-17H2,1H3.
What are the key properties of 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine has a molecular weight of 270.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine is sourced from PubChem (CID 62483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).