3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine

C15H19Cl2N3 — CID 62220260

IUPAC3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2c(Cl)cccc2Cl)c(N)n1C(C)(C)C
InChIInChI=1S/C15H19Cl2N3/c1-5-11-19-13(14(18)20(11)15(2,3)4)12-9(16)7-6-8-10(12)17/h6-8H,5,18H2,1-4H3
InChIKeyUTRMHBOBSVGXOB-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.76
Rot. Bonds2

About 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine

3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine (PubChem CID 62220260) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine
PubChem CID62220260
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2c(Cl)cccc2Cl)c(N)n1C(C)(C)C
InChIInChI=1S/C15H19Cl2N3/c1-5-11-19-13(14(18)20(11)15(2,3)4)12-9(16)7-6-8-10(12)17/h6-8H,5,18H2,1-4H3
InChIKeyUTRMHBOBSVGXOB-UHFFFAOYSA-N
XLogP4.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
CID 62220448
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679
2-tert-butyl-5-(2,6-dichlorophenyl)-3-ethylimidazol-4-amine
CID 62219680
3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
CID 62219728
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
3-tert-butyl-5-(2,6-dichlorophenyl)imidazol-4-amine
CID 62017739
3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
CID 66134443
5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
CID 55049007
5-(2,3-dichlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 62218305
2-(1-tert-butylbenzimidazol-2-yl)-3-chloroaniline
CID 63723778
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
CID 63468358
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
CID 62224310

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine (CID 62220260) is 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine is CCc1nc(-c2c(Cl)cccc2Cl)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine?
The InChIKey is UTRMHBOBSVGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-5-11-19-13(14(18)20(11)15(2,3)4)12-9(16)7-6-8-10(12)17/h6-8H,5,18H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine?
3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine has a molecular weight of 312.24 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62220260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).