2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid

C16H13N3O2 — CID 70723096

IUPAC2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C16H13N3O2/c20-14(21)10-19-11-18-15(12-4-2-1-3-5-12)16(19)13-6-8-17-9-7-13/h1-9,11H,10H2,(H,20,21)
InChIKeyLMJKDJSGMQGSOM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid (PubChem CID 70723096) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
PubChem CID70723096
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C16H13N3O2/c20-14(21)10-19-11-18-15(12-4-2-1-3-5-12)16(19)13-6-8-17-9-7-13/h1-9,11H,10H2,(H,20,21)
InChIKeyLMJKDJSGMQGSOM-UHFFFAOYSA-N
XLogP2.70
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
CID 70737056
4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50957636
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
CID 50981837
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
4,5-diphenyl-1-propylimidazole
CID 14950648
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 50954542
(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 95123927
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid (CID 70723096) is 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid is O=C(O)Cn1cnc(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid?
The InChIKey is LMJKDJSGMQGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14(21)10-19-11-18-15(12-4-2-1-3-5-12)16(19)13-6-8-17-9-7-13/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid?
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid has a molecular weight of 279.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid is sourced from PubChem (CID 70723096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).