N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide

C19H16ClN3O2 — CID 3053914

IUPACN-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-22(18(24)12-23-10-9-21-13-23)17-8-7-15(20)11-16(17)19(25)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyIVOZXXYHOHKWNW-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.43
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide

N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide (PubChem CID 3053914) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide
PubChem CID3053914
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-22(18(24)12-23-10-9-21-13-23)17-8-7-15(20)11-16(17)19(25)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyIVOZXXYHOHKWNW-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide (CID 3053914) is N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is IVOZXXYHOHKWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-22(18(24)12-23-10-9-21-13-23)17-8-7-15(20)11-16(17)19(25)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 353.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 3053914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).