(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 23640797

IUPAC(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyVVYXAONPDPSXQE-ZDUSSCGKSA-N
MW245.37 g/mol
LogP2.27
Rot. Bonds3

About (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640797) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640797
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyVVYXAONPDPSXQE-ZDUSSCGKSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (CID 23640797) is (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VVYXAONPDPSXQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).