N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide

C19H19N3O — CID 3433998

IUPACN-(3-imidazol-1-ylpropyl)-4-phenylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c23-19(21-11-4-13-22-14-12-20-15-22)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10,12,14-15H,4,11,13H2,(H,21,23)
InChIKeyLHNYQACUGOEBBJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.37
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide

N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide (PubChem CID 3433998) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-phenylbenzamide
PubChem CID3433998
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-phenylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c23-19(21-11-4-13-22-14-12-20-15-22)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10,12,14-15H,4,11,13H2,(H,21,23)
InChIKeyLHNYQACUGOEBBJ-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.37
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 N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide (CID 3433998) is N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide is O=C(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide?
The InChIKey is LHNYQACUGOEBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(21-11-4-13-22-14-12-20-15-22)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10,12,14-15H,4,11,13H2,(H,21,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide?
N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide is sourced from PubChem (CID 3433998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).