3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid

C20H18FN3O3 — CID 72907292

IUPAC3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c21-16-8-6-14(7-9-16)17(12-19(26)27)23-18(25)13-24-11-10-22-20(24)15-4-2-1-3-5-15/h1-11,17H,12-13H2,(H,23,25)(H,26,27)
InChIKeyJOIJDKJOMYADBB-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.02
Rot. Bonds7

About 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid

3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 72907292) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid
PubChem CID72907292
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c21-16-8-6-14(7-9-16)17(12-19(26)27)23-18(25)13-24-11-10-22-20(24)15-4-2-1-3-5-15/h1-11,17H,12-13H2,(H,23,25)(H,26,27)
InChIKeyJOIJDKJOMYADBB-UHFFFAOYSA-N
XLogP3.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylimidazol-1-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 51492898
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72837726
N-(4-fluorophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560761
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
(3S)-3-(4-fluorophenyl)-3-[(3-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97192648
3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97315397
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 72901054
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid (CID 72907292) is 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid is O=C(O)CC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JOIJDKJOMYADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-16-8-6-14(7-9-16)17(12-19(26)27)23-18(25)13-24-11-10-22-20(24)15-4-2-1-3-5-15/h1-11,17H,12-13H2,(H,23,25)(H,26,27).
What are the key properties of 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid?
3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 367.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 72907292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).