4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide

C25H25N3O — CID 100587934

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-19-26-16-17-28(19)18-20-11-13-23(14-12-20)25(29)27-15-5-9-22-8-4-7-21-6-2-3-10-24(21)22/h2-4,6-8,10-14,16-17H,5,9,15,18H2,1H3,(H,27,29)
InChIKeyVLIHMAQLFAWCGM-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.76
Rot. Bonds7

About 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide

4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide (PubChem CID 100587934) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
PubChem CID100587934
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-19-26-16-17-28(19)18-20-11-13-23(14-12-20)25(29)27-15-5-9-22-8-4-7-21-6-2-3-10-24(21)22/h2-4,6-8,10-14,16-17H,5,9,15,18H2,1H3,(H,27,29)
InChIKeyVLIHMAQLFAWCGM-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.76
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 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide (CID 100587934) is 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide is Cc1nccn1Cc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide?
The InChIKey is VLIHMAQLFAWCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-26-16-17-28(19)18-20-11-13-23(14-12-20)25(29)27-15-5-9-22-8-4-7-21-6-2-3-10-24(21)22/h2-4,6-8,10-14,16-17H,5,9,15,18H2,1H3,(H,27,29).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide has a molecular weight of 383.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 100587934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).