1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 79514209

IUPAC1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cccc(C)c1C
InChIInChI=1S/C15H23N3/c1-5-11(3)18-14(9-17-15(18)16)13-8-6-7-10(2)12(13)4/h6-8,11,14H,5,9H2,1-4H3,(H2,16,17)
InChIKeyYOEOTAUKHWVWAI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.77
Rot. Bonds3

About 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514209) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514209
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cccc(C)c1C
InChIInChI=1S/C15H23N3/c1-5-11(3)18-14(9-17-15(18)16)13-8-6-7-10(2)12(13)4/h6-8,11,14H,5,9H2,1-4H3,(H2,16,17)
InChIKeyYOEOTAUKHWVWAI-UHFFFAOYSA-N
XLogP2.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.77
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-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine (CID 79514209) is 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1cccc(C)c1C.
What is the InChIKey of 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is YOEOTAUKHWVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-11(3)18-14(9-17-15(18)16)13-8-6-7-10(2)12(13)4/h6-8,11,14H,5,9H2,1-4H3,(H2,16,17).
What are the key properties of 1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.77, 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-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).