N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide

C23H22FN5OS — CID 17421872

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H22FN5OS/c1-27(14-19-13-26-28(16-19)15-18-6-3-2-4-7-18)22(30)17-31-23-25-10-11-29(23)21-9-5-8-20(24)12-21/h2-13,16H,14-15,17H2,1H3
InChIKeyRKACUSFOXIICBM-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.01
Rot. Bonds8

About N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 17421872) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID17421872
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H22FN5OS/c1-27(14-19-13-26-28(16-19)15-18-6-3-2-4-7-18)22(30)17-31-23-25-10-11-29(23)21-9-5-8-20(24)12-21/h2-13,16H,14-15,17H2,1H3
InChIKeyRKACUSFOXIICBM-UHFFFAOYSA-N
XLogP4.01
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide 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

N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670232
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 33234150
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 42411719
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17474976
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345074
N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423602
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide (CID 17421872) is N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is RKACUSFOXIICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-27(14-19-13-26-28(16-19)15-18-6-3-2-4-7-18)22(30)17-31-23-25-10-11-29(23)21-9-5-8-20(24)12-21/h2-13,16H,14-15,17H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 435.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 17421872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).