N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

C24H27F3N4O — CID 42819855

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H27F3N4O/c1-18-7-9-20(10-8-18)23(32)31(14-13-29(2)3)17-22-28-11-12-30(22)16-19-5-4-6-21(15-19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyOYLLQCDFYVJDCZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.46
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (PubChem CID 42819855) has the molecular formula C24H27F3N4O and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
PubChem CID42819855
Molecular FormulaC24H27F3N4O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H27F3N4O/c1-18-7-9-20(10-8-18)23(32)31(14-13-29(2)3)17-22-28-11-12-30(22)16-19-5-4-6-21(15-19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyOYLLQCDFYVJDCZ-UHFFFAOYSA-N
XLogP4.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
3-methoxy-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819848
3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
CID 42819947
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide
CID 42819982
N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598898
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (CID 42819855) is N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is Cc1ccc(C(=O)N(CCN(C)C)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The InChIKey is OYLLQCDFYVJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O/c1-18-7-9-20(10-8-18)23(32)31(14-13-29(2)3)17-22-28-11-12-30(22)16-19-5-4-6-21(15-19)24(25,26)27/h4-12,15H,13-14,16-17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 42819855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).