3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine

C15H20ClN3 — CID 62220448

IUPAC3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C15H20ClN3/c1-5-12-18-13(10-7-6-8-11(16)9-10)14(17)19(12)15(2,3)4/h6-9H,5,17H2,1-4H3
InChIKeyHJZYWWXTNUOEML-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.10
Rot. Bonds2

About 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine

3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine (PubChem CID 62220448) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
PubChem CID62220448
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C15H20ClN3/c1-5-12-18-13(10-7-6-8-11(16)9-10)14(17)19(12)15(2,3)4/h6-9H,5,17H2,1-4H3
InChIKeyHJZYWWXTNUOEML-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226374
4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine
CID 62483208
3-tert-butyl-5-(2,6-dichlorophenyl)-2-ethylimidazol-4-amine
CID 62220260
5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048633
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
CID 62219728
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
CID 82374863
5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
CID 55048113
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine (CID 62220448) is 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine is CCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine?
The InChIKey is HJZYWWXTNUOEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-5-12-18-13(10-7-6-8-11(16)9-10)14(17)19(12)15(2,3)4/h6-9H,5,17H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine?
3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine has a molecular weight of 277.80 g/mol, XLogP of 4.10, 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-(3-chlorophenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62220448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).