1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine

C16H25N3 — CID 79514448

IUPAC1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyRVASEFPHRPXCDJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.03
Rot. Bonds4

About 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine

1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79514448) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
PubChem CID79514448
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyRVASEFPHRPXCDJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
CID 79513993
4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
CID 79510374
1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79514665
1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79509614
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
5-ethyl-5-(4-ethylphenyl)-1-propyl-4H-imidazol-2-amine
CID 79509520
1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79505096
5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine
CID 79514885
1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 103961626
5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565697
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662
1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514290

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine (CID 79514448) is 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1.
What is the InChIKey of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is RVASEFPHRPXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18).
What are the key properties of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79514448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).