N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide

C33H47N3O — CID 14273547

IUPACN-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1-c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C33H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32(37)35-30-25-21-20-24-29(30)31-27-34-33(36-31)28-22-17-16-18-23-28/h16-18,20-25,27H,2-15,19,26H2,1H3,(H,34,36)(H,35,37)
InChIKeyJXSFGPAFAKGMOM-UHFFFAOYSA-N
MW501.76 g/mol
LogP9.94
Rot. Bonds19

About N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide

N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide (PubChem CID 14273547) has the molecular formula C33H47N3O and a molecular weight of 501.76 g/mol. Its IUPAC name is N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide
PubChem CID14273547
Molecular FormulaC33H47N3O
Molecular Weight501.76 g/mol
Exact Mass501.37
IUPAC NameN-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1-c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C33H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32(37)35-30-25-21-20-24-29(30)31-27-34-33(36-31)28-22-17-16-18-23-28/h16-18,20-25,27H,2-15,19,26H2,1H3,(H,34,36)(H,35,37)
InChIKeyJXSFGPAFAKGMOM-UHFFFAOYSA-N
XLogP9.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 59.94
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide?
The IUPAC name of N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide (CID 14273547) is N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide.
What is the SMILES notation for N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide?
The canonical SMILES for N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1-c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide?
The InChIKey is JXSFGPAFAKGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32(37)35-30-25-21-20-24-29(30)31-27-34-33(36-31)28-22-17-16-18-23-28/h16-18,20-25,27H,2-15,19,26H2,1H3,(H,34,36)(H,35,37).
What are the key properties of N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide?
N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide has a molecular weight of 501.76 g/mol, XLogP of 9.94, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide is sourced from PubChem (CID 14273547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).