2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid

C17H18N4O3 — CID 70709599

IUPAC2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
SMILESCCn1ccnc1-c1c(-c2ccccc2)ncn1C(CO)C(=O)O
InChIInChI=1S/C17H18N4O3/c1-2-20-9-8-18-16(20)15-14(12-6-4-3-5-7-12)19-11-21(15)13(10-22)17(23)24/h3-9,11,13,22H,2,10H2,1H3,(H,23,24)
InChIKeyOYJKVBDISGYMDL-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.05
Rot. Bonds6

About 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid

2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid (PubChem CID 70709599) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
PubChem CID70709599
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
SMILESCCn1ccnc1-c1c(-c2ccccc2)ncn1C(CO)C(=O)O
InChIInChI=1S/C17H18N4O3/c1-2-20-9-8-18-16(20)15-14(12-6-4-3-5-7-12)19-11-21(15)13(10-22)17(23)24/h3-9,11,13,22H,2,10H2,1H3,(H,23,24)
InChIKeyOYJKVBDISGYMDL-UHFFFAOYSA-N
XLogP2.05
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
CID 63075138
4,5-diphenyl-1-propylimidazole
CID 14950648
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole
CID 50975610
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
CID 95126287
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid (CID 70709599) is 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid is CCn1ccnc1-c1c(-c2ccccc2)ncn1C(CO)C(=O)O.
What is the InChIKey of 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid?
The InChIKey is OYJKVBDISGYMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-20-9-8-18-16(20)15-14(12-6-4-3-5-7-12)19-11-21(15)13(10-22)17(23)24/h3-9,11,13,22H,2,10H2,1H3,(H,23,24).
What are the key properties of 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid?
2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid has a molecular weight of 326.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid is sourced from PubChem (CID 70709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).