(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine

C26H29N3 — CID 25102762

IUPAC(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESc1ccc(CCCCN2C(Nc3ccccc3)=NC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C26H29N3/c1-4-12-22(13-5-1)14-10-11-19-29-25(20-23-15-6-2-7-16-23)21-27-26(29)28-24-17-8-3-9-18-24/h1-9,12-13,15-18,25H,10-11,14,19-21H2,(H,27,28)/t25-/m0/s1
InChIKeyXQNUGKQJQAENMJ-VWLOTQADSA-N
MW383.54 g/mol
LogP5.40
Rot. Bonds8

About (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102762) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102762
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC Name(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESc1ccc(CCCCN2C(Nc3ccccc3)=NC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C26H29N3/c1-4-12-22(13-5-1)14-10-11-19-29-25(20-23-15-6-2-7-16-23)21-27-26(29)28-24-17-8-3-9-18-24/h1-9,12-13,15-18,25H,10-11,14,19-21H2,(H,27,28)/t25-/m0/s1
InChIKeyXQNUGKQJQAENMJ-VWLOTQADSA-N
XLogP5.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-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-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 25102762) is (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is c1ccc(CCCCN2C(Nc3ccccc3)=NC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XQNUGKQJQAENMJ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3/c1-4-12-22(13-5-1)14-10-11-19-29-25(20-23-15-6-2-7-16-23)21-27-26(29)28-24-17-8-3-9-18-24/h1-9,12-13,15-18,25H,10-11,14,19-21H2,(H,27,28)/t25-/m0/s1.
What are the key properties of (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 383.54 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-N-phenyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).