5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride

C21H26ClN3 — CID 70689162

IUPAC5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
SMILESCCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1.Cl
InChIInChI=1S/C21H25N3.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)20-19(23-21(22)24-20)17-10-7-5-8-11-17;/h5,7-8,10-15H,2-4,6,9H2,1H3,(H3,22,23,24);1H
InChIKeyZVEKWJJVYNJLBI-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.87
Rot. Bonds7

About 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride

5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 70689162) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
PubChem CID70689162
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
SMILESCCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1.Cl
InChIInChI=1S/C21H25N3.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)20-19(23-21(22)24-20)17-10-7-5-8-11-17;/h5,7-8,10-15H,2-4,6,9H2,1H3,(H3,22,23,24);1H
InChIKeyZVEKWJJVYNJLBI-UHFFFAOYSA-N
XLogP5.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
2-(3-dodecylphenyl)-4,5-bis(4-dodecylphenyl)-1H-imidazole
CID 122209347
4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine
CID 70697488
1-pentadecyl-4-phenylbenzene
CID 57166115
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
CID 46850530
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride (CID 70689162) is 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride is CCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1.Cl.
What is the InChIKey of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is ZVEKWJJVYNJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)20-19(23-21(22)24-20)17-10-7-5-8-11-17;/h5,7-8,10-15H,2-4,6,9H2,1H3,(H3,22,23,24);1H.
What are the key properties of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride?
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 70689162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).