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

C20H21N3O2 — CID 134027428

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-15-7-8-18(24)17(13-15)20(25)22-10-9-19-21-11-12-23(19)14-16-5-3-2-4-6-16/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,25)
InChIKeyYRFCSJUOLGWXKL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.92
Rot. Bonds6

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

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide (PubChem CID 134027428) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
PubChem CID134027428
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-15-7-8-18(24)17(13-15)20(25)22-10-9-19-21-11-12-23(19)14-16-5-3-2-4-6-16/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,25)
InChIKeyYRFCSJUOLGWXKL-UHFFFAOYSA-N
XLogP2.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134039942
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide (CID 134027428) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCCc2nccn2Cc2ccccc2)c1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is YRFCSJUOLGWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-7-8-18(24)17(13-15)20(25)22-10-9-19-21-11-12-23(19)14-16-5-3-2-4-6-16/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 134027428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).