N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide

C21H23N3O3 — CID 4789127

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1C
InChIInChI=1S/C21H23N3O3/c1-14-19(26-3)11-17(12-20(14)27-4)21(25)23-15(2)16-5-7-18(8-6-16)24-10-9-22-13-24/h5-13,15H,1-4H3,(H,23,25)
InChIKeyMXABURPJLOFBEF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.69
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 4789127) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID4789127
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1C
InChIInChI=1S/C21H23N3O3/c1-14-19(26-3)11-17(12-20(14)27-4)21(25)23-15(2)16-5-7-18(8-6-16)24-10-9-22-13-24/h5-13,15H,1-4H3,(H,23,25)
InChIKeyMXABURPJLOFBEF-UHFFFAOYSA-N
XLogP3.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 24788727
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide
CID 138470423
N-(3-Imidazol-1-yl-propyl)-3,5-dimethoxy-benzamide
CID 4098737
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-N-phenyl-benzamide
CID 21696999
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
CID 134369669
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide
CID 135331289
Pcsk9-IN-13
CID 135331297
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide
CID 5302246
3,5-dimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 6456763
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide
CID 7080215
4-(1H-imidazol-1-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 11568232

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide (CID 4789127) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1C.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is MXABURPJLOFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-19(26-3)11-17(12-20(14)27-4)21(25)23-15(2)16-5-7-18(8-6-16)24-10-9-22-13-24/h5-13,15H,1-4H3,(H,23,25).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 4789127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).