N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

C24H27F3N4O2 — CID 46140726

IUPACN-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O2/c1-29(2)13-14-31(23(32)18-8-6-9-20(15-18)33-3)17-22-28-11-12-30(22)16-19-7-4-5-10-21(19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyHHCQKYYHZDPJFI-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.16
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (PubChem CID 46140726) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
PubChem CID46140726
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O2/c1-29(2)13-14-31(23(32)18-8-6-9-20(15-18)33-3)17-22-28-11-12-30(22)16-19-7-4-5-10-21(19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyHHCQKYYHZDPJFI-UHFFFAOYSA-N
XLogP4.16
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
N-(3-Imidazol-1-yl-propyl)-3,5-dimethoxy-benzamide
CID 4098737
6-(3-Imidazol-1-ylpropyl)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 17755851
2-(3-Acetyl-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697015
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 134369560
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzamide
CID 24792940
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzamide
CID 24794311
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
N-[3-(1H-imidazol-1-yl)propyl]-3-methoxybenzamide
CID 4465100
4-(4-Ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
CID 10247955
4-(3-Fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
CID 10361398

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (CID 46140726) is N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is COc1cccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The InChIKey is HHCQKYYHZDPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-29(2)13-14-31(23(32)18-8-6-9-20(15-18)33-3)17-22-28-11-12-30(22)16-19-7-4-5-10-21(19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide has a molecular weight of 460.50 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 46140726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).