N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide

C24H21F3N4O2S — CID 70922906

IUPACN-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide
SMILESCc1nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)n(C)c1C(=O)NCC(N)=O
InChIInChI=1S/C24H21F3N4O2S/c1-13-20(23(33)29-12-19(28)32)31(2)22(30-13)18-8-4-6-15-11-17(34-21(15)18)10-14-5-3-7-16(9-14)24(25,26)27/h3-9,11H,10,12H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyRSZBJYBDIDMDGD-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.43
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide

N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide (PubChem CID 70922906) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide
PubChem CID70922906
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC NameN-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide
SMILESCc1nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)n(C)c1C(=O)NCC(N)=O
InChIInChI=1S/C24H21F3N4O2S/c1-13-20(23(33)29-12-19(28)32)31(2)22(30-13)18-8-4-6-15-11-17(34-21(15)18)10-14-5-3-7-16(9-14)24(25,26)27/h3-9,11H,10,12H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyRSZBJYBDIDMDGD-UHFFFAOYSA-N
XLogP4.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide (CID 70922906) is N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide is Cc1nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)n(C)c1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide?
The InChIKey is RSZBJYBDIDMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-13-20(23(33)29-12-19(28)32)31(2)22(30-13)18-8-4-6-15-11-17(34-21(15)18)10-14-5-3-7-16(9-14)24(25,26)27/h3-9,11H,10,12H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3,5-dimethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxamide is sourced from PubChem (CID 70922906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).