2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C18H16ClN3O — CID 18112919

IUPAC2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(21-18(23)16-4-2-3-5-17(16)19)14-6-8-15(9-7-14)22-11-10-20-12-22/h2-13H,1H3,(H,21,23)
InChIKeyYLMKJKRDXUETRG-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 18112919) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID18112919
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(21-18(23)16-4-2-3-5-17(16)19)14-6-8-15(9-7-14)22-11-10-20-12-22/h2-13H,1H3,(H,21,23)
InChIKeyYLMKJKRDXUETRG-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
4'-Chloro-biphenyl-4-carboxylic acid (2-imidazol-1-yl-2-phenyl-ethyl)-amide
CID 9952928
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}benzamide
CID 25218455
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
Azole, 20
CID 11517747
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
Azole, 1
CID 53348132
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 1508858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 18112919) is 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is YLMKJKRDXUETRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13(21-18(23)16-4-2-3-5-17(16)19)14-6-8-15(9-7-14)22-11-10-20-12-22/h2-13H,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 325.80 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 18112919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).