N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide

C18H17N3O — CID 7694012

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22)
InChIKeyPGTCXULNTZOCOX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide (PubChem CID 7694012) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
PubChem CID7694012
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22)
InChIKeyPGTCXULNTZOCOX-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide (CID 7694012) is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide is O=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The InChIKey is PGTCXULNTZOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 7694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).