4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

C17H24ClN3O — CID 17065271

IUPAC4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-17(2,3)15-7-5-14(6-8-15)16(21)19-9-4-11-20-12-10-18-13-20;/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,19,21);1H
InChIKeyKTJIFLNDEQQRNV-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.42
Rot. Bonds5

About 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (PubChem CID 17065271) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
PubChem CID17065271
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-17(2,3)15-7-5-14(6-8-15)16(21)19-9-4-11-20-12-10-18-13-20;/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,19,21);1H
InChIKeyKTJIFLNDEQQRNV-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.42
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-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (CID 17065271) is 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is CC(C)(C)c1ccc(C(=O)NCCCn2ccnc2)cc1.Cl.
What is the InChIKey of 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is KTJIFLNDEQQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-17(2,3)15-7-5-14(6-8-15)16(21)19-9-4-11-20-12-10-18-13-20;/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,19,21);1H.
What are the key properties of 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 17065271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).