N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide

C19H19N3O — CID 91795974

IUPACN-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H19N3O/c23-19(22-12-6-11-18-20-13-14-21-18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-5,7-10,13-14H,6,11-12H2,(H,20,21)(H,22,23)
InChIKeyPFGFTKQEQCRTRY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.44
Rot. Bonds6

About N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide

N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide (PubChem CID 91795974) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide
PubChem CID91795974
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H19N3O/c23-19(22-12-6-11-18-20-13-14-21-18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-5,7-10,13-14H,6,11-12H2,(H,20,21)(H,22,23)
InChIKeyPFGFTKQEQCRTRY-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide (CID 91795974) is N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide is O=C(NCCCc1ncc[nH]1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide?
The InChIKey is PFGFTKQEQCRTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(22-12-6-11-18-20-13-14-21-18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-5,7-10,13-14H,6,11-12H2,(H,20,21)(H,22,23).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide?
N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-2-phenylbenzamide is sourced from PubChem (CID 91795974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).