3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine

C15H20ClN3O — CID 65022186

IUPAC3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCOc1ccc(-c2nc(C)n(C(C)(C)C)c2N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-9-18-13(14(17)19(9)15(2,3)4)10-6-7-12(20-5)11(16)8-10/h6-8H,17H2,1-5H3
InChIKeyMLBFKUKZYHPFEB-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.86
Rot. Bonds2

About 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine

3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine (PubChem CID 65022186) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine
PubChem CID65022186
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCOc1ccc(-c2nc(C)n(C(C)(C)C)c2N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-9-18-13(14(17)19(9)15(2,3)4)10-6-7-12(20-5)11(16)8-10/h6-8H,17H2,1-5H3
InChIKeyMLBFKUKZYHPFEB-UHFFFAOYSA-N
XLogP3.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine (CID 65022186) is 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine is COc1ccc(-c2nc(C)n(C(C)(C)C)c2N)cc1Cl.
What is the InChIKey of 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The InChIKey is MLBFKUKZYHPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-9-18-13(14(17)19(9)15(2,3)4)10-6-7-12(20-5)11(16)8-10/h6-8H,17H2,1-5H3.
What are the key properties of 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine?
3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine has a molecular weight of 293.80 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 65022186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).