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

C21H25N3 — CID 70689163

IUPAC5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
SMILESCCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H25N3/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)
InChIKeyCMAWTFUQPGDNPB-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.45
Rot. Bonds7

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

5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine (PubChem CID 70689163) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
PubChem CID70689163
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
SMILESCCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H25N3/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)
InChIKeyCMAWTFUQPGDNPB-UHFFFAOYSA-N
XLogP5.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.45
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;hydrochloride
CID 70689162
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
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine?
The IUPAC name of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine (CID 70689163) is 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine is CCCCCCc1ccc(-c2[nH]c(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine?
The InChIKey is CMAWTFUQPGDNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/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).
What are the key properties of 5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine?
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine has a molecular weight of 319.45 g/mol, XLogP of 5.45, 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 is sourced from PubChem (CID 70689163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).