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

C22H24N2O3 — CID 15698075

IUPAC2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
SMILESCCCCc1ncc(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-3-8-21-23-13-18(15-25)24(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22(26)27/h4-7,9-13,25H,2-3,8,14-15H2,1H3,(H,26,27)
InChIKeyXEJLAWGJSRSYBY-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.13
Rot. Bonds8

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

2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 15698075) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
PubChem CID15698075
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
SMILESCCCCc1ncc(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-3-8-21-23-13-18(15-25)24(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22(26)27/h4-7,9-13,25H,2-3,8,14-15H2,1H3,(H,26,27)
InChIKeyXEJLAWGJSRSYBY-UHFFFAOYSA-N
XLogP4.13
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
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
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952957
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
3-[5-(2,2-Dimethylpropyl)-2-[2-[4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]ethyl]imidazol-1-yl]propanoic acid
CID 155528415
4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
CID 130762
2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid
CID 4110026
2-[2-butyl-1-(4-carboxybenzyl)-1H-5-imidazolylmethylamino]benzoic acid
CID 9978737
4-[[5-[(E)-(3-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-butylimidazol-1-yl]methyl]benzoic acid
CID 10027175
2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic Acid
CID 10046327
4-[[5-[(Z)-(3-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-butylimidazol-1-yl]methyl]benzoic acid
CID 10049809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid (CID 15698075) is 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid is CCCCc1ncc(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is XEJLAWGJSRSYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-3-8-21-23-13-18(15-25)24(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22(26)27/h4-7,9-13,25H,2-3,8,14-15H2,1H3,(H,26,27).
What are the key properties of 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid?
2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 15698075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).