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

C22H19N3O3 — CID 118428177

IUPAC2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid
SMILESCOc1ncccc1-c1nc(C)c(C(=O)O)n1Cc1cccc2ccccc12
InChIInChI=1S/C22H19N3O3/c1-14-19(22(26)27)25(20(24-14)18-11-6-12-23-21(18)28-2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyRCQXKCSBFXLGNS-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.16
Rot. Bonds5

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

2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid (PubChem CID 118428177) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid
PubChem CID118428177
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid
SMILESCOc1ncccc1-c1nc(C)c(C(=O)O)n1Cc1cccc2ccccc12
InChIInChI=1S/C22H19N3O3/c1-14-19(22(26)27)25(20(24-14)18-11-6-12-23-21(18)28-2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyRCQXKCSBFXLGNS-UHFFFAOYSA-N
XLogP4.16
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
CID 118416804
3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428157
3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 118428141
2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine
CID 134228721
3-(carboxymethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900234
3-(2-methoxy-3-pyridinyl)-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 155071727
3-[(2,4-difluorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)-N-sulfanylbenzo[e]indole-2-carboxamide
CID 89041218
5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
CID 118428159
3-[(2-cyanophenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428160
2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
CID 507380
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid (CID 118428177) is 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid is COc1ncccc1-c1nc(C)c(C(=O)O)n1Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The InChIKey is RCQXKCSBFXLGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-19(22(26)27)25(20(24-14)18-11-6-12-23-21(18)28-2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118428177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).