3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

C20H20N4O2 — CID 154748801

IUPAC3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(13-16-5-2-1-3-6-16)22-9-10-23-20(26)17-7-4-8-18(14-17)24-12-11-21-15-24/h1-8,11-12,14-15H,9-10,13H2,(H,22,25)(H,23,26)
InChIKeyHVDMSRBKFCCLSN-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.96
Rot. Bonds7

About 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (PubChem CID 154748801) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
PubChem CID154748801
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(13-16-5-2-1-3-6-16)22-9-10-23-20(26)17-7-4-8-18(14-17)24-12-11-21-15-24/h1-8,11-12,14-15H,9-10,13H2,(H,22,25)(H,23,26)
InChIKeyHVDMSRBKFCCLSN-UHFFFAOYSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
N-[3-[(3-imidazol-1-ylbenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 67246740
N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
CID 57066287
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The IUPAC name of 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (CID 154748801) is 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is O=C(Cc1ccccc1)NCCNC(=O)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The InChIKey is HVDMSRBKFCCLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(13-16-5-2-1-3-6-16)22-9-10-23-20(26)17-7-4-8-18(14-17)24-12-11-21-15-24/h1-8,11-12,14-15H,9-10,13H2,(H,22,25)(H,23,26).
What are the key properties of 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 154748801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).