N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride

C14H18ClN3O2 — CID 6603491

IUPACN-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-19-13-5-3-12(4-6-13)14(18)16-7-2-9-17-10-8-15-11-17;/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18);1H
InChIKeyMIOFMRLCFZZCAS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.13
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride (PubChem CID 6603491) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
PubChem CID6603491
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-19-13-5-3-12(4-6-13)14(18)16-7-2-9-17-10-8-15-11-17;/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18);1H
InChIKeyMIOFMRLCFZZCAS-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-[3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methoxybenzamide
CID 3118594
3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
CID 118463545
N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811383
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
methyl 4-[4-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-1-methylpyrazole-3-carboxylate
CID 122572817

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride (CID 6603491) is N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCCCn2ccnc2)cc1.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride?
The InChIKey is MIOFMRLCFZZCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-19-13-5-3-12(4-6-13)14(18)16-7-2-9-17-10-8-15-11-17;/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.13, 6 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-methoxybenzamide;hydrochloride is sourced from PubChem (CID 6603491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).