N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide

C17H16N4O3 — CID 164690314

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O3/c22-15(14-2-1-3-16(23)20-14)10-19-17(24)12-4-6-13(7-5-12)21-9-8-18-11-21/h1-9,11,15,22H,10H2,(H,19,24)(H,20,23)
InChIKeyDXGKGTYSCYIJOS-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.02
Rot. Bonds5

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 164690314) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID164690314
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O3/c22-15(14-2-1-3-16(23)20-14)10-19-17(24)12-4-6-13(7-5-12)21-9-8-18-11-21/h1-9,11,15,22H,10H2,(H,19,24)(H,20,23)
InChIKeyDXGKGTYSCYIJOS-UHFFFAOYSA-N
XLogP1.02
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 167974637
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 42945317
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]quinoxaline-5-carboxamide
CID 163318556
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide (CID 164690314) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide is O=C(NCC(O)c1cccc(=O)[nH]1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is DXGKGTYSCYIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15(14-2-1-3-16(23)20-14)10-19-17(24)12-4-6-13(7-5-12)21-9-8-18-11-21/h1-9,11,15,22H,10H2,(H,19,24)(H,20,23).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 324.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 164690314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).