3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid

C19H19N3O2 — CID 118428157

IUPAC3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
SMILESCCc1ccccc1Cn1c(-c2cccnc2)nc(C)c1C(=O)O
InChIInChI=1S/C19H19N3O2/c1-3-14-7-4-5-8-16(14)12-22-17(19(23)24)13(2)21-18(22)15-9-6-10-20-11-15/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyPQKCVBVYPASZDX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.56
Rot. Bonds5

About 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid

3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid (PubChem CID 118428157) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
PubChem CID118428157
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
SMILESCCc1ccccc1Cn1c(-c2cccnc2)nc(C)c1C(=O)O
InChIInChI=1S/C19H19N3O2/c1-3-14-7-4-5-8-16(14)12-22-17(19(23)24)13(2)21-18(22)15-9-6-10-20-11-15/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyPQKCVBVYPASZDX-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428160
5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
CID 118428159
3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 118428141
3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 118428135
5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
CID 118416804
3-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(5-methylsulfonyl-3-pyridinyl)imidazole-4-carboxylic acid
CID 118428185
3-[(4-bromo-1-benzothiophen-3-yl)methyl]-5-propan-2-yl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118416836
3-(1-benzothiophen-3-ylmethyl)-2-(5-chloro-3-pyridinyl)-5-methylimidazole-4-carboxylic acid
CID 118416856
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
1-[3-[(4-chloro-1-benzothiophen-3-yl)methyl]-5-methyl-2-pyridin-3-ylimidazol-4-yl]-2-methoxyethanone
CID 118428203
2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 118428177
3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane
CID 144627667

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid?
The IUPAC name of 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid (CID 118428157) is 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid is CCc1ccccc1Cn1c(-c2cccnc2)nc(C)c1C(=O)O.
What is the InChIKey of 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid?
The InChIKey is PQKCVBVYPASZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-14-7-4-5-8-16(14)12-22-17(19(23)24)13(2)21-18(22)15-9-6-10-20-11-15/h4-11H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid?
3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 118428157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).