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

C16H25N3 — CID 79513993

IUPAC1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1cc(C)ccc1C
InChIInChI=1S/C16H25N3/c1-6-13(4)19-15(17)18-10-16(19,5)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H2,17,18)
InChIKeyCTOAJJWLFIXWAV-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.95
Rot. Bonds3

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

1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79513993) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79513993
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(C)c1cc(C)ccc1C
InChIInChI=1S/C16H25N3/c1-6-13(4)19-15(17)18-10-16(19,5)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H2,17,18)
InChIKeyCTOAJJWLFIXWAV-UHFFFAOYSA-N
XLogP2.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine (CID 79513993) is 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(C)c1cc(C)ccc1C.
What is the InChIKey of 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is CTOAJJWLFIXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-13(4)19-15(17)18-10-16(19,5)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H2,17,18).
What are the key properties of 1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine?
1-butan-2-yl-5-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.95, 3 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-(2,5-dimethylphenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79513993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).