5-(4-phenylphenyl)-1-undecylimidazol-2-amine

C26H35N3 — CID 50941063

IUPAC5-(4-phenylphenyl)-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)cnc1N
InChIInChI=1S/C26H35N3/c1-2-3-4-5-6-7-8-9-13-20-29-25(21-28-26(29)27)24-18-16-23(17-19-24)22-14-11-10-12-15-22/h10-12,14-19,21H,2-9,13,20H2,1H3,(H2,27,28)
InChIKeyGPLVONGJNMXTEQ-UHFFFAOYSA-N
MW389.59 g/mol
LogP7.33
Rot. Bonds12

About 5-(4-phenylphenyl)-1-undecylimidazol-2-amine

5-(4-phenylphenyl)-1-undecylimidazol-2-amine (PubChem CID 50941063) has the molecular formula C26H35N3 and a molecular weight of 389.59 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1-undecylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1-undecylimidazol-2-amine
PubChem CID50941063
Molecular FormulaC26H35N3
Molecular Weight389.59 g/mol
Exact Mass389.28
IUPAC Name5-(4-phenylphenyl)-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)cnc1N
InChIInChI=1S/C26H35N3/c1-2-3-4-5-6-7-8-9-13-20-29-25(21-28-26(29)27)24-18-16-23(17-19-24)22-14-11-10-12-15-22/h10-12,14-19,21H,2-9,13,20H2,1H3,(H2,27,28)
InChIKeyGPLVONGJNMXTEQ-UHFFFAOYSA-N
XLogP7.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.59
LogP ≤ 57.33
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 5-(4-phenylphenyl)-1-undecylimidazol-2-amine?
The IUPAC name of 5-(4-phenylphenyl)-1-undecylimidazol-2-amine (CID 50941063) is 5-(4-phenylphenyl)-1-undecylimidazol-2-amine.
What is the SMILES notation for 5-(4-phenylphenyl)-1-undecylimidazol-2-amine?
The canonical SMILES for 5-(4-phenylphenyl)-1-undecylimidazol-2-amine is CCCCCCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)cnc1N.
What is the InChIKey of 5-(4-phenylphenyl)-1-undecylimidazol-2-amine?
The InChIKey is GPLVONGJNMXTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3/c1-2-3-4-5-6-7-8-9-13-20-29-25(21-28-26(29)27)24-18-16-23(17-19-24)22-14-11-10-12-15-22/h10-12,14-19,21H,2-9,13,20H2,1H3,(H2,27,28).
What are the key properties of 5-(4-phenylphenyl)-1-undecylimidazol-2-amine?
5-(4-phenylphenyl)-1-undecylimidazol-2-amine has a molecular weight of 389.59 g/mol, XLogP of 7.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1-undecylimidazol-2-amine is sourced from PubChem (CID 50941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).