(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

C21H22FN3OS — CID 40675254

IUPAC(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3OS/c1-14-4-5-15(2)19(12-14)25-11-10-23-21(25)27-16(3)20(26)24-13-17-6-8-18(22)9-7-17/h4-12,16H,13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyFGVJGZXFSPYPLI-MRXNPFEDSA-N
MW383.49 g/mol
LogP4.43
Rot. Bonds6

About (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 40675254) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID40675254
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3OS/c1-14-4-5-15(2)19(12-14)25-11-10-23-21(25)27-16(3)20(26)24-13-17-6-8-18(22)9-7-17/h4-12,16H,13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyFGVJGZXFSPYPLI-MRXNPFEDSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43027462
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806722
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 46813222
(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7870840
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46608367
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55652675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (CID 40675254) is (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is FGVJGZXFSPYPLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-14-4-5-15(2)19(12-14)25-11-10-23-21(25)27-16(3)20(26)24-13-17-6-8-18(22)9-7-17/h4-12,16H,13H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 40675254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).