2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid

C18H22N2O4 — CID 154570731

IUPAC2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2nccn2CCC2CCCOC2)cc1C(=O)O
InChIInChI=1S/C18H22N2O4/c1-23-16-5-4-14(11-15(16)18(21)22)17-19-7-9-20(17)8-6-13-3-2-10-24-12-13/h4-5,7,9,11,13H,2-3,6,8,10,12H2,1H3,(H,21,22)
InChIKeyMXXMUCUSVAYNQQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.07
Rot. Bonds6

About 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid

2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid (PubChem CID 154570731) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
PubChem CID154570731
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2nccn2CCC2CCCOC2)cc1C(=O)O
InChIInChI=1S/C18H22N2O4/c1-23-16-5-4-14(11-15(16)18(21)22)17-19-7-9-20(17)8-6-13-3-2-10-24-12-13/h4-5,7,9,11,13H,2-3,6,8,10,12H2,1H3,(H,21,22)
InChIKeyMXXMUCUSVAYNQQ-UHFFFAOYSA-N
XLogP3.07
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine
CID 163334004
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893996
6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
CID 131924703
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
2-[2-methoxy-4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 154823819
(5-bromo-2-methoxyphenyl)-(oxan-3-yl)methanone
CID 63012190
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid (CID 154570731) is 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid is COc1ccc(-c2nccn2CCC2CCCOC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid?
The InChIKey is MXXMUCUSVAYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-16-5-4-14(11-15(16)18(21)22)17-19-7-9-20(17)8-6-13-3-2-10-24-12-13/h4-5,7,9,11,13H,2-3,6,8,10,12H2,1H3,(H,21,22).
What are the key properties of 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid?
2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 154570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).