4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine

C17H25N3 — CID 46850530

IUPAC4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
SMILESCCCCCc1nc(N)[nH]c1CCCc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-5-12-15-16(20-17(18)19-15)13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3,(H3,18,19,20)
InChIKeyZOTATXVSOKBKLV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.90
Rot. Bonds8

About 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine

4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine (PubChem CID 46850530) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
PubChem CID46850530
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
SMILESCCCCCc1nc(N)[nH]c1CCCc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-5-12-15-16(20-17(18)19-15)13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3,(H3,18,19,20)
InChIKeyZOTATXVSOKBKLV-UHFFFAOYSA-N
XLogP3.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-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

Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
dodecylbenzene;pyridine
CID 174718010
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
CID 70689162

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine?
The IUPAC name of 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine (CID 46850530) is 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine is CCCCCc1nc(N)[nH]c1CCCc1ccccc1.
What is the InChIKey of 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine?
The InChIKey is ZOTATXVSOKBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-5-12-15-16(20-17(18)19-15)13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3,(H3,18,19,20).
What are the key properties of 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine?
4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 46850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).