3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine

C14H17F2N3 — CID 106531898

IUPAC3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
SMILESCc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H17F2N3/c1-8-18-12(13(17)19(8)14(2,3)4)9-5-10(15)7-11(16)6-9/h5-7H,17H2,1-4H3
InChIKeyICENXWPKPVRRHO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.47
Rot. Bonds1

About 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine

3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine (PubChem CID 106531898) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
PubChem CID106531898
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
SMILESCc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H17F2N3/c1-8-18-12(13(17)19(8)14(2,3)4)9-5-10(15)7-11(16)6-9/h5-7H,17H2,1-4H3
InChIKeyICENXWPKPVRRHO-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
CID 106531916
3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine
CID 62226168
5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
CID 55048113
2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine
CID 106531957
4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
CID 55048115
3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65022186
1-tert-butyl-3-(3,5-difluorophenyl)pyrazol-4-amine
CID 83222745
5-(3,5-difluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 106531924
1-tert-butyl-5,7-difluoro-2-methylbenzimidazole
CID 174310825
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
CID 63645352
3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62219308

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine (CID 106531898) is 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine is Cc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine?
The InChIKey is ICENXWPKPVRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8-18-12(13(17)19(8)14(2,3)4)9-5-10(15)7-11(16)6-9/h5-7H,17H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine?
3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 106531898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).