2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid

C19H20FN3O2 — CID 91192661

IUPAC2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid
SMILESNC1=NCC(CC(=O)O)(C(Cc2ccccc2F)c2ccccc2)N1
InChIInChI=1S/C19H20FN3O2/c20-16-9-5-4-8-14(16)10-15(13-6-2-1-3-7-13)19(11-17(24)25)12-22-18(21)23-19/h1-9,15H,10-12H2,(H,24,25)(H3,21,22,23)
InChIKeyLGCILPSYHTUKHH-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid

2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid (PubChem CID 91192661) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid
PubChem CID91192661
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid
SMILESNC1=NCC(CC(=O)O)(C(Cc2ccccc2F)c2ccccc2)N1
InChIInChI=1S/C19H20FN3O2/c20-16-9-5-4-8-14(16)10-15(13-6-2-1-3-7-13)19(11-17(24)25)12-22-18(21)23-19/h1-9,15H,10-12H2,(H,24,25)(H3,21,22,23)
InChIKeyLGCILPSYHTUKHH-UHFFFAOYSA-N
XLogP2.28
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methyl]-5-methyl-1,4-dihydroimidazol-2-amine
CID 114835134
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
CID 114834684
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
CID 144861536
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
benzyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352237

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid (CID 91192661) is 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid is NC1=NCC(CC(=O)O)(C(Cc2ccccc2F)c2ccccc2)N1.
What is the InChIKey of 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid?
The InChIKey is LGCILPSYHTUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-9-5-4-8-14(16)10-15(13-6-2-1-3-7-13)19(11-17(24)25)12-22-18(21)23-19/h1-9,15H,10-12H2,(H,24,25)(H3,21,22,23).
What are the key properties of 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid?
2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(2-fluorophenyl)-1-phenylethyl]-1,4-dihydroimidazol-5-yl]acetic acid is sourced from PubChem (CID 91192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).