2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid

C11H12N2O3 — CID 84787352

IUPAC2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NCC(C(=O)O)N1
InChIInChI=1S/C11H12N2O3/c1-16-9-5-3-2-4-7(9)10-12-6-8(13-10)11(14)15/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMGOJHNAHWNEEIQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid

2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 84787352) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID84787352
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NCC(C(=O)O)N1
InChIInChI=1S/C11H12N2O3/c1-16-9-5-3-2-4-7(9)10-12-6-8(13-10)11(14)15/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMGOJHNAHWNEEIQ-UHFFFAOYSA-N
XLogP0.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369319
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid
CID 71019505
3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149432
6-[5-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 68625841
[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69035895
(4S,6S)-4-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 907958
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134922
3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83664545

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 84787352) is 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid is COc1ccccc1C1=NCC(C(=O)O)N1.
What is the InChIKey of 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is MGOJHNAHWNEEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-9-5-3-2-4-7(9)10-12-6-8(13-10)11(14)15/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid?
2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 84787352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).