N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide

C20H21N3O2 — CID 111477581

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-7-8-18(23-10-9-21-13-23)17(11-14)20(25)22-12-19(24)16-6-4-3-5-15(16)2/h3-11,13,19,24H,12H2,1-2H3,(H,22,25)
InChIKeyKLQYWJFEMVFULP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.95
Rot. Bonds5

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide (PubChem CID 111477581) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
PubChem CID111477581
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-7-8-18(23-10-9-21-13-23)17(11-14)20(25)22-12-19(24)16-6-4-3-5-15(16)2/h3-11,13,19,24H,12H2,1-2H3,(H,22,25)
InChIKeyKLQYWJFEMVFULP-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111566196
N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
CID 100644801
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 111119746
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
CID 111120000
2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methyl-3-nitrobenzamide
CID 111119934
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide (CID 111477581) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide is Cc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide?
The InChIKey is KLQYWJFEMVFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-7-8-18(23-10-9-21-13-23)17(11-14)20(25)22-12-19(24)16-6-4-3-5-15(16)2/h3-11,13,19,24H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide is sourced from PubChem (CID 111477581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).