N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine

C21H25N3 — CID 141036518

IUPACN-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
SMILESCCCCCN(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c1-2-3-10-15-24(17-18-11-6-4-7-12-18)21-22-16-20(23-21)19-13-8-5-9-14-19/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,22,23)
InChIKeyGSZFJGMVCGYNHR-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.27
Rot. Bonds8

About N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine

N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine (PubChem CID 141036518) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
PubChem CID141036518
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
SMILESCCCCCN(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c1-2-3-10-15-24(17-18-11-6-4-7-12-18)21-22-16-20(23-21)19-13-8-5-9-14-19/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,22,23)
InChIKeyGSZFJGMVCGYNHR-UHFFFAOYSA-N
XLogP5.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine (CID 141036518) is N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine is CCCCCN(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The InChIKey is GSZFJGMVCGYNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-3-10-15-24(17-18-11-6-4-7-12-18)21-22-16-20(23-21)19-13-8-5-9-14-19/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,22,23).
What are the key properties of N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine has a molecular weight of 319.45 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine is sourced from PubChem (CID 141036518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).