5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine

C15H21N3O2 — CID 79514885

IUPAC5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O2/c1-4-10(2)18-14(16)17-8-15(18,3)11-5-6-12-13(7-11)20-9-19-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyLMYJISZHHCSIBH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.06
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine

5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine (PubChem CID 79514885) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine
PubChem CID79514885
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O2/c1-4-10(2)18-14(16)17-8-15(18,3)11-5-6-12-13(7-11)20-9-19-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyLMYJISZHHCSIBH-UHFFFAOYSA-N
XLogP2.06
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79505005
1-butan-2-yl-5-[3-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
CID 79502717
1-butan-2-yl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79503022
1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79514448
2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
CID 79515037
1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 103961626
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79498282
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine
CID 79498611
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 64801213

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine (CID 79514885) is 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine?
The InChIKey is LMYJISZHHCSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10(2)18-14(16)17-8-15(18,3)11-5-6-12-13(7-11)20-9-19-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-butan-2-yl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).