2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

C16H18N2O3 — CID 83966376

IUPAC2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2cn3c(n2)CC(C(=O)O)CC3)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-12(21-2)3-4-13(10)14-9-18-6-5-11(16(19)20)8-15(18)17-14/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyLHFWXGSXRUMOPH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 83966376) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID83966376
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2cn3c(n2)CC(C(=O)O)CC3)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-12(21-2)3-4-13(10)14-9-18-6-5-11(16(19)20)8-15(18)17-14/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyLHFWXGSXRUMOPH-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 83966379
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3979499
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048390
2-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155961
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155945
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 83966376) is 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is COc1ccc(-c2cn3c(n2)CC(C(=O)O)CC3)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is LHFWXGSXRUMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-12(21-2)3-4-13(10)14-9-18-6-5-11(16(19)20)8-15(18)17-14/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83966376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).