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

C20H21N3O2 — CID 49487480

IUPACN-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-8-17(14-18(19)16-6-3-2-4-7-16)20(24)22-10-5-12-23-13-11-21-15-23/h2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,22,24)
InChIKeyIKMVFZIRQKIDJJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide (PubChem CID 49487480) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
PubChem CID49487480
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-25-19-9-8-17(14-18(19)16-6-3-2-4-7-16)20(24)22-10-5-12-23-13-11-21-15-23/h2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,22,24)
InChIKeyIKMVFZIRQKIDJJ-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
CID 118463545
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 110205119

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide (CID 49487480) is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide is COc1ccc(C(=O)NCCCn2ccnc2)cc1-c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide?
The InChIKey is IKMVFZIRQKIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-19-9-8-17(14-18(19)16-6-3-2-4-7-16)20(24)22-10-5-12-23-13-11-21-15-23/h2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,22,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide?
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide is sourced from PubChem (CID 49487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).