4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide

C22H17ClN4O2 — CID 90748361

IUPAC4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cn(-c2ccc(-c3ccc[nH]c3=O)cc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O2/c23-17-7-3-16(4-8-17)21(28)25-12-18-13-27(14-26-18)19-9-5-15(6-10-19)20-2-1-11-24-22(20)29/h1-11,13-14H,12H2,(H,24,29)(H,25,28)
InChIKeyUSWMYJIMHXAFTB-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide

4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide (PubChem CID 90748361) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide
PubChem CID90748361
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cn(-c2ccc(-c3ccc[nH]c3=O)cc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O2/c23-17-7-3-16(4-8-17)21(28)25-12-18-13-27(14-26-18)19-9-5-15(6-10-19)20-2-1-11-24-22(20)29/h1-11,13-14H,12H2,(H,24,29)(H,25,28)
InChIKeyUSWMYJIMHXAFTB-UHFFFAOYSA-N
XLogP3.81
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]-1H-indole-5-carboxamide;N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]-1H-indole-6-carboxamide
CID 160867591
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24760753
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-[1-(4-tert-butylbenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1H-pyridin-2-one
CID 137308196
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
CID 170608857
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 141194446
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide (CID 90748361) is 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide is O=C(NCc1cn(-c2ccc(-c3ccc[nH]c3=O)cc2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide?
The InChIKey is USWMYJIMHXAFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-17-7-3-16(4-8-17)21(28)25-12-18-13-27(14-26-18)19-9-5-15(6-10-19)20-2-1-11-24-22(20)29/h1-11,13-14H,12H2,(H,24,29)(H,25,28).
What are the key properties of 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide?
4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide has a molecular weight of 404.86 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 90748361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).