N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

C24H21FN6OS — CID 50751053

IUPACN-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3nc4ccccc4[nH]3)cs2)c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C24H21FN6OS/c1-14-19(11-16-6-5-7-17(25)10-16)15(2)31(30-14)24-26-18(13-33-24)12-22(32)29-23-27-20-8-3-4-9-21(20)28-23/h3-10,13H,11-12H2,1-2H3,(H2,27,28,29,32)
InChIKeyFRMDTLVBRWJLKB-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.73
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 50751053) has the molecular formula C24H21FN6OS and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID50751053
Molecular FormulaC24H21FN6OS
Molecular Weight460.54 g/mol
Exact Mass460.15
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3nc4ccccc4[nH]3)cs2)c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C24H21FN6OS/c1-14-19(11-16-6-5-7-17(25)10-16)15(2)31(30-14)24-26-18(13-33-24)12-22(32)29-23-27-20-8-3-4-9-21(20)28-23/h3-10,13H,11-12H2,1-2H3,(H2,27,28,29,32)
InChIKeyFRMDTLVBRWJLKB-UHFFFAOYSA-N
XLogP4.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46269651
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 46265381
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 46265369
N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265391
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (CID 50751053) is N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is Cc1nn(-c2nc(CC(=O)Nc3nc4ccccc4[nH]3)cs2)c(C)c1Cc1cccc(F)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is FRMDTLVBRWJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6OS/c1-14-19(11-16-6-5-7-17(25)10-16)15(2)31(30-14)24-26-18(13-33-24)12-22(32)29-23-27-20-8-3-4-9-21(20)28-23/h3-10,13H,11-12H2,1-2H3,(H2,27,28,29,32).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 50751053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).