N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide

C20H21N3O — CID 24819432

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1C
InChIInChI=1S/C20H21N3O/c1-14-5-4-6-19(15(14)2)20(24)22-16(3)17-7-9-18(10-8-17)23-12-11-21-13-23/h4-13,16H,1-3H3,(H,22,24)
InChIKeyASGYYOAKSIGYQE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.98
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide (PubChem CID 24819432) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
PubChem CID24819432
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1C
InChIInChI=1S/C20H21N3O/c1-14-5-4-6-19(15(14)2)20(24)22-16(3)17-7-9-18(10-8-17)23-12-11-21-13-23/h4-13,16H,1-3H3,(H,22,24)
InChIKeyASGYYOAKSIGYQE-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 9119802
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide (CID 24819432) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1C.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is ASGYYOAKSIGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-5-4-6-19(15(14)2)20(24)22-16(3)17-7-9-18(10-8-17)23-12-11-21-13-23/h4-13,16H,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 24819432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).