2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid

C23H26N2O4 — CID 19815286

IUPAC2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid
SMILESCCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-3-8-22-24-13-19(15-26)25(22)14-17-9-11-20(12-10-17)29-16-18-6-4-5-7-21(18)23(27)28/h4-7,9-13,26H,2-3,8,14-16H2,1H3,(H,27,28)
InChIKeyNEUPVVHTRBIBGJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.04
Rot. Bonds10

About 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid

2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid (PubChem CID 19815286) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid
PubChem CID19815286
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid
SMILESCCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-3-8-22-24-13-19(15-26)25(22)14-17-9-11-20(12-10-17)29-16-18-6-4-5-7-21(18)23(27)28/h4-7,9-13,26H,2-3,8,14-16H2,1H3,(H,27,28)
InChIKeyNEUPVVHTRBIBGJ-UHFFFAOYSA-N
XLogP4.04
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid with MolForge

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Related Compounds

6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid
CID 117629741
(E)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 121269564
(E)-4-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hex-4-enoic acid
CID 126752344
(R)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid
CID 126752361
11-[2-(4-Phenyl-imidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 10409168
2-Butyl-4-chloro-1-[4-(2-carboxyphenoxy)benzyl]-5-hydroxymethylimidazole
CID 19815363
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(4-methoxyphenyl)methyl]prop-2-enoic acid
CID 44209616
3-[[5-(3,4-Dimethylphenoxy)-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
CID 68661980
2-[5-[4-(Cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407841
6-[2-[[5-Methyl-2-(2-methyl-1-benzofuran-5-yl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 121269556
(3R)-6-[2-[[2-(4-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752322
(3R)-6-[2-[[2-[4-(difluoromethoxy)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752347

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid (CID 19815286) is 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid is CCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid?
The InChIKey is NEUPVVHTRBIBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-3-8-22-24-13-19(15-26)25(22)14-17-9-11-20(12-10-17)29-16-18-6-4-5-7-21(18)23(27)28/h4-7,9-13,26H,2-3,8,14-16H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid?
2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid has a molecular weight of 394.47 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 19815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).