2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid

C26H24N2O3 — CID 46881418

IUPAC2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
SMILESCOc1ccccc1Cc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C26H24N2O3/c1-31-24-9-5-2-6-20(24)16-21-17-27-25(28-21)15-12-18-10-13-19(14-11-18)22-7-3-4-8-23(22)26(29)30/h2-11,13-14,17H,12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKeyGGCIRWSFNZPXCN-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.16
Rot. Bonds8

About 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid

2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid (PubChem CID 46881418) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
PubChem CID46881418
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
SMILESCOc1ccccc1Cc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C26H24N2O3/c1-31-24-9-5-2-6-20(24)16-21-17-27-25(28-21)15-12-18-10-13-19(14-11-18)22-7-3-4-8-23(22)26(29)30/h2-11,13-14,17H,12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKeyGGCIRWSFNZPXCN-UHFFFAOYSA-N
XLogP5.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid with MolForge

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Related Compounds

Eluxadoline
CID 11250029
2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 25025654
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46845425
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethanone
CID 44351969
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]propan-1-one
CID 44352012
4''-(2-(5-neopentyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 25025858
4''-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl)-4,5-difluorobiphenyl-2-carboxylic acid
CID 46885311
(Z)-but-2-enedioic acid;ethyl 5-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-oxopentanoate
CID 44351767
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]heptan-1-one
CID 44351816
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]hexan-1-one
CID 44351830
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone;oxalic acid
CID 44351875
(Z)-but-2-enedioic acid;4-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-2-one
CID 44351893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid (CID 46881418) is 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid is COc1ccccc1Cc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The InChIKey is GGCIRWSFNZPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-24-9-5-2-6-20(24)16-21-17-27-25(28-21)15-12-18-10-13-19(14-11-18)22-7-3-4-8-23(22)26(29)30/h2-11,13-14,17H,12,15-16H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid has a molecular weight of 412.49 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-[(2-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).