1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 25102554

IUPAC1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)CN1CCN=C1Nc1ccccc1
InChIInChI=1S/C15H23N3/c1-3-13(4-2)12-18-11-10-16-15(18)17-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,16,17)
InChIKeyGGQLDKLGKLTFML-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102554) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID25102554
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)CN1CCN=C1Nc1ccccc1
InChIInChI=1S/C15H23N3/c1-3-13(4-2)12-18-11-10-16-15(18)17-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,16,17)
InChIKeyGGQLDKLGKLTFML-UHFFFAOYSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 25102554) is 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CCC(CC)CN1CCN=C1Nc1ccccc1.
What is the InChIKey of 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is GGQLDKLGKLTFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-13(4-2)12-18-11-10-16-15(18)17-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).