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

C16H21F2N3 — CID 106531916

IUPAC3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C16H21F2N3/c1-5-6-13-20-14(15(19)21(13)16(2,3)4)10-7-11(17)9-12(18)8-10/h7-9H,5-6,19H2,1-4H3
InChIKeyWUXVNWBCJYPZQA-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.12
Rot. Bonds3

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

3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine (PubChem CID 106531916) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
PubChem CID106531916
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C16H21F2N3/c1-5-6-13-20-14(15(19)21(13)16(2,3)4)10-7-11(17)9-12(18)8-10/h7-9H,5-6,19H2,1-4H3
InChIKeyWUXVNWBCJYPZQA-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
CID 106531898
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679
5-butyl-3-tert-butyl-2-propylimidazol-4-amine
CID 62219587
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220284
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050525
2-tert-butyl-4-(3,5-difluorophenyl)imidazole-1,5-diamine
CID 106531957
3-tert-butyl-5-(3-chlorophenyl)-2-ethylimidazol-4-amine
CID 62220448
5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
CID 114454434
3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050859
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846
3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
CID 62219728

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine (CID 106531916) is 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine is CCCc1nc(-c2cc(F)cc(F)c2)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine?
The InChIKey is WUXVNWBCJYPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-5-6-13-20-14(15(19)21(13)16(2,3)4)10-7-11(17)9-12(18)8-10/h7-9H,5-6,19H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine?
3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine has a molecular weight of 293.36 g/mol, XLogP of 4.12, 3 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-propylimidazol-4-amine is sourced from PubChem (CID 106531916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).