5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

C14H19ClFN3 — CID 79496769

IUPAC5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18)
InChIKeyMXJAXRMTEOZFPG-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.98
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79496769) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79496769
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18)
InChIKeyMXJAXRMTEOZFPG-UHFFFAOYSA-N
XLogP2.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.98
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)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (CID 79496769) is 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is CC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is MXJAXRMTEOZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 283.78 g/mol, XLogP of 2.98, 3 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)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79496769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).