N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

C25H20ClF2N3OS — CID 71117993

IUPACN-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20ClF2N3OS/c1-30(15-17-6-3-2-4-7-17)24(32)23-14-29-25(31(23)19-12-10-18(27)11-13-19)33-16-20-21(26)8-5-9-22(20)28/h2-14H,15-16H2,1H3
InChIKeyQDWNQSGOPDXYOO-UHFFFAOYSA-N
MW483.97 g/mol
LogP6.37
Rot. Bonds7

About N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (PubChem CID 71117993) has the molecular formula C25H20ClF2N3OS and a molecular weight of 483.97 g/mol. Its IUPAC name is N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
PubChem CID71117993
Molecular FormulaC25H20ClF2N3OS
Molecular Weight483.97 g/mol
Exact Mass483.10
IUPAC NameN-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20ClF2N3OS/c1-30(15-17-6-3-2-4-7-17)24(32)23-14-29-25(31(23)19-12-10-18(27)11-13-19)33-16-20-21(26)8-5-9-22(20)28/h2-14H,15-16H2,1H3
InChIKeyQDWNQSGOPDXYOO-UHFFFAOYSA-N
XLogP6.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.97
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-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

Related Compounds

(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxamide
CID 44425202
2-(2-chlorophenyl)-N-cyclohexyl-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 44425205
2-(2-chlorophenyl)-N-cyclohexyl-1-p-tolyl-1H-imidazole-4-carboxamide
CID 44425203
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1H-imidazole-4-carboxamide
CID 44425210
2-[(3-Fluorophenyl)methylsulfanyl]-3-phenylimidazo[5,1-f][1,2,4]triazin-4-one
CID 164610887
N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 162650817
US11718612, Example 44
CID 156146621
2-[[3-[(2-Chlorophenyl)methyl]-2-propylsulfanylimidazole-4-carbonyl]amino]acetic acid
CID 19743674
8-[(2-chloro-4-fluorobenzyl)thio]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 1330170
2-{[4-(4-Chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-YL]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 3305037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (CID 71117993) is N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is QDWNQSGOPDXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3OS/c1-30(15-17-6-3-2-4-7-17)24(32)23-14-29-25(31(23)19-12-10-18(27)11-13-19)33-16-20-21(26)8-5-9-22(20)28/h2-14H,15-16H2,1H3.
What are the key properties of N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 483.97 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 71117993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).