3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide

C13H13Cl2N3O — CID 2931317

IUPAC3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-11-3-2-10(8-12(11)15)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19)
InChIKeyXCLALDXAYYEIOG-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.01
Rot. Bonds5

About 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide

3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2931317) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2931317
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-11-3-2-10(8-12(11)15)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19)
InChIKeyXCLALDXAYYEIOG-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
4'-Chloro-biphenyl-4-carboxylic acid (2-imidazol-1-yl-2-phenyl-ethyl)-amide
CID 9952928
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide
CID 137530077
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
Azole, 1
CID 53348132
2,6-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970447
(2E)-3-(4-chlorophenyl)-N-(3-imidazolylpropyl)prop-2-enamide
CID 5862903
3,5-dichloro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 16239233
2-Fluoro-N-(3-imidazol-1-yl-propyl)-benzamide
CID 17065330
N-[3-(1H-imidazol-1-yl)propyl]-4-iodobenzamide
CID 4877443

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide (CID 2931317) is 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is XCLALDXAYYEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-11-3-2-10(8-12(11)15)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19).
What are the key properties of 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 298.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2931317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).