5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid

C27H21N3O3 — CID 118416804

IUPAC5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1nc(-c2cncc(Oc3ccccc3)c2)n(Cc2cccc3ccccc23)c1C(=O)O
InChIInChI=1S/C27H21N3O3/c1-18-25(27(31)32)30(17-20-10-7-9-19-8-5-6-13-24(19)20)26(29-18)21-14-23(16-28-15-21)33-22-11-3-2-4-12-22/h2-16H,17H2,1H3,(H,31,32)
InChIKeyLORWNMWYZLFVEI-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.95
Rot. Bonds6

About 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid

5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid (PubChem CID 118416804) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
PubChem CID118416804
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1nc(-c2cncc(Oc3ccccc3)c2)n(Cc2cccc3ccccc23)c1C(=O)O
InChIInChI=1S/C27H21N3O3/c1-18-25(27(31)32)30(17-20-10-7-9-19-8-5-6-13-24(19)20)26(29-18)21-14-23(16-28-15-21)33-22-11-3-2-4-12-22/h2-16H,17H2,1H3,(H,31,32)
InChIKeyLORWNMWYZLFVEI-UHFFFAOYSA-N
XLogP5.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(Benzyloxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 9882206
Ethyl 8-(benzyloxy)-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CID 44382335
8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135195
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 134179619
8-[(4-Fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 20459038
8-[(2-Fluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 20459049
3-Carboethoxy-8-(2,6-dimethyl-4-fluorobenzyloxy)-2-methylimidazo[1,2-a]pyridine
CID 21717346
Ethyl 8-[(2-fluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 53732806
2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]pyridin-2-yl]-3-(trifluoromethyl)imidazole-4-carboxylic acid
CID 66546272
2-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]pyridin-2-yl]-3-methylimidazole-4-carboxylic acid
CID 66547175
Ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)pyridin-2-yl]-3-(trifluoromethyl)imidazole-4-carboxylate
CID 68350037
2-Methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 70510815

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid (CID 118416804) is 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid is Cc1nc(-c2cncc(Oc3ccccc3)c2)n(Cc2cccc3ccccc23)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid?
The InChIKey is LORWNMWYZLFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-18-25(27(31)32)30(17-20-10-7-9-19-8-5-6-13-24(19)20)26(29-18)21-14-23(16-28-15-21)33-22-11-3-2-4-12-22/h2-16H,17H2,1H3,(H,31,32).
What are the key properties of 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid?
5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118416804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).