2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine

C16H22FN3O — CID 65096311

IUPAC2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C16H22FN3O/c1-6-20-14(18)13(19-15(20)16(2,3)4)10-7-8-12(21-5)11(17)9-10/h7-9H,6,18H2,1-5H3
InChIKeyGXGMMLQTIXWHFR-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.60
Rot. Bonds3

About 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine

2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine (PubChem CID 65096311) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
PubChem CID65096311
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C16H22FN3O/c1-6-20-14(18)13(19-15(20)16(2,3)4)10-7-8-12(21-5)11(17)9-10/h7-9H,6,18H2,1-5H3
InChIKeyGXGMMLQTIXWHFR-UHFFFAOYSA-N
XLogP3.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine (CID 65096311) is 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine is CCn1c(C(C)(C)C)nc(-c2ccc(OC)c(F)c2)c1N.
What is the InChIKey of 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The InChIKey is GXGMMLQTIXWHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-6-20-14(18)13(19-15(20)16(2,3)4)10-7-8-12(21-5)11(17)9-10/h7-9H,6,18H2,1-5H3.
What are the key properties of 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine has a molecular weight of 291.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 65096311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).