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

C21H33N3 — CID 141036580

IUPACN-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
SMILESCCCCCCCN(CCCCC)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H33N3/c1-3-5-7-8-13-17-24(16-12-6-4-2)21-22-18-20(23-21)19-14-10-9-11-15-19/h9-11,14-15,18H,3-8,12-13,16-17H2,1-2H3,(H,22,23)
InChIKeyXHIKGAGYYFPLDT-UHFFFAOYSA-N
MW327.52 g/mol
LogP6.04
Rot. Bonds12

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

N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine (PubChem CID 141036580) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
PubChem CID141036580
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC NameN-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
SMILESCCCCCCCN(CCCCC)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H33N3/c1-3-5-7-8-13-17-24(16-12-6-4-2)21-22-18-20(23-21)19-14-10-9-11-15-19/h9-11,14-15,18H,3-8,12-13,16-17H2,1-2H3,(H,22,23)
InChIKeyXHIKGAGYYFPLDT-UHFFFAOYSA-N
XLogP6.04
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 56.04
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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Related Compounds

N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
CID 141036518
(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214777
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine
CID 3709374
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
1,1'-biphenyl;hexadecane
CID 173308514
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine
CID 154277388
N-cyclohexyl-N-methyl-5-phenyl-1H-imidazol-2-amine
CID 67215124

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The IUPAC name of N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine (CID 141036580) is N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The canonical SMILES for N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine is CCCCCCCN(CCCCC)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
The InChIKey is XHIKGAGYYFPLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-3-5-7-8-13-17-24(16-12-6-4-2)21-22-18-20(23-21)19-14-10-9-11-15-19/h9-11,14-15,18H,3-8,12-13,16-17H2,1-2H3,(H,22,23).
What are the key properties of N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine?
N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine has a molecular weight of 327.52 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine is sourced from PubChem (CID 141036580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).