3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C22H24FN3O — CID 25339891

IUPAC3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1
InChIInChI=1S/C22H24FN3O/c1-15-4-5-17(16(2)14-15)8-11-20(27)25-21(22-24-12-13-26(22)3)18-6-9-19(23)10-7-18/h4-7,9-10,12-14,21H,8,11H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyHPAZDOHXQWTBQS-NRFANRHFSA-N
MW365.45 g/mol
LogP4.01
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 25339891) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID25339891
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1
InChIInChI=1S/C22H24FN3O/c1-15-4-5-17(16(2)14-15)8-11-20(27)25-21(22-24-12-13-26(22)3)18-6-9-19(23)10-7-18/h4-7,9-10,12-14,21H,8,11H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyHPAZDOHXQWTBQS-NRFANRHFSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42949172
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25369027
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 25339891) is 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is Cc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is HPAZDOHXQWTBQS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15-4-5-17(16(2)14-15)8-11-20(27)25-21(22-24-12-13-26(22)3)18-6-9-19(23)10-7-18/h4-7,9-10,12-14,21H,8,11H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 25339891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).