(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C19H31N3 — CID 25102542

IUPAC(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1
InChIKeyKKKFHDJXPHSSGO-SFHVURJKSA-N
MW301.48 g/mol
LogP3.80
Rot. Bonds8

About (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102542) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102542
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1
InChIKeyKKKFHDJXPHSSGO-SFHVURJKSA-N
XLogP3.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-benzyl-1-heptyl-N,N-dimethyl-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-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102542) is (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CCCCCCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KKKFHDJXPHSSGO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3/c1-4-5-6-7-11-14-22-18(16-20-19(22)21(2)3)15-17-12-9-8-10-13-17/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 301.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).