2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate

C23H24FN3O3 — CID 132550264

IUPAC2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
SMILESCC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H24FN3O3/c1-16(2)14-30-23(29)21(13-27-12-11-25-15-27)26-22(28)18-9-7-17(8-10-18)19-5-3-4-6-20(19)24/h3-12,15-16,21H,13-14H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyHNWAOXQUAXIEIQ-NRFANRHFSA-N
MW409.46 g/mol
LogP3.69
Rot. Bonds8

About 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate

2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate (PubChem CID 132550264) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate.

Molecular Properties

Compound Name2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
PubChem CID132550264
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
SMILESCC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H24FN3O3/c1-16(2)14-30-23(29)21(13-27-12-11-25-15-27)26-22(28)18-9-7-17(8-10-18)19-5-3-4-6-20(19)24/h3-12,15-16,21H,13-14H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyHNWAOXQUAXIEIQ-NRFANRHFSA-N
XLogP3.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate?
The IUPAC name of 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate (CID 132550264) is 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate.
What is the SMILES notation for 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate?
The canonical SMILES for 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate is CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate?
The InChIKey is HNWAOXQUAXIEIQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16(2)14-30-23(29)21(13-27-12-11-25-15-27)26-22(28)18-9-7-17(8-10-18)19-5-3-4-6-20(19)24/h3-12,15-16,21H,13-14H2,1-2H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate?
2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate has a molecular weight of 409.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate is sourced from PubChem (CID 132550264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).