1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine

C29H33N3 — CID 50941104

IUPAC1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cnc1N
InChIInChI=1S/C29H33N3/c1-2-3-4-5-6-10-21-32-28(22-31-29(32)30)27-19-17-26(18-20-27)25-15-13-24(14-16-25)23-11-8-7-9-12-23/h7-9,11-20,22H,2-6,10,21H2,1H3,(H2,30,31)
InChIKeyFHFQZFOWBOSIBI-UHFFFAOYSA-N
MW423.60 g/mol
LogP7.83
Rot. Bonds10

About 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine

1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine (PubChem CID 50941104) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine
PubChem CID50941104
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC Name1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cnc1N
InChIInChI=1S/C29H33N3/c1-2-3-4-5-6-10-21-32-28(22-31-29(32)30)27-19-17-26(18-20-27)25-15-13-24(14-16-25)23-11-8-7-9-12-23/h7-9,11-20,22H,2-6,10,21H2,1H3,(H2,30,31)
InChIKeyFHFQZFOWBOSIBI-UHFFFAOYSA-N
XLogP7.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine?
The IUPAC name of 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine (CID 50941104) is 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine?
The canonical SMILES for 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine is CCCCCCCCn1c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cnc1N.
What is the InChIKey of 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine?
The InChIKey is FHFQZFOWBOSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3/c1-2-3-4-5-6-10-21-32-28(22-31-29(32)30)27-19-17-26(18-20-27)25-15-13-24(14-16-25)23-11-8-7-9-12-23/h7-9,11-20,22H,2-6,10,21H2,1H3,(H2,30,31).
What are the key properties of 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine?
1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine has a molecular weight of 423.60 g/mol, XLogP of 7.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-5-[4-(4-phenylphenyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 50941104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).