2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid

C19H25ClN2O3 — CID 20521508

IUPAC2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid
SMILESCCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccccc1OCCC
InChIInChI=1S/C19H25ClN2O3/c1-3-5-10-17-21-19(20)15(12-18(23)24)22(17)13-14-8-6-7-9-16(14)25-11-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,23,24)
InChIKeyNUYZASBXVAAGOD-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.34
Rot. Bonds10

About 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid

2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid (PubChem CID 20521508) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid
PubChem CID20521508
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid
SMILESCCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccccc1OCCC
InChIInChI=1S/C19H25ClN2O3/c1-3-5-10-17-21-19(20)15(12-18(23)24)22(17)13-14-8-6-7-9-16(14)25-11-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,23,24)
InChIKeyNUYZASBXVAAGOD-UHFFFAOYSA-N
XLogP4.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-butyl-5-chloro-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]acetic acid
CID 15356437
4-[[5-[[(2-benzyl-3-sulfanylpropanoyl)amino]methyl]-2-butyl-4-chloroimidazol-1-yl]methyl]-3-methoxybenzoic acid
CID 87219092
2-[[2-[2-butyl-5-chloro-3-[(2-chlorophenyl)methyl]imidazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 67858633
2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid
CID 70576854
[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl] benzoate
CID 23191507
(E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-4-enoic acid
CID 67736161
methyl 2-[2-butyl-5-chloro-3-[[4-(trifluoromethylsulfonylamino)phenyl]methyl]imidazol-4-yl]acetate
CID 19815454
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
1-[(2-butoxyphenyl)methyl]pyrazole-3-carbonyl chloride
CID 86661912
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
4-[[2-butyl-4-chloro-5-[[(2-methyl-3-sulfanylpropanoyl)amino]methyl]imidazol-1-yl]methyl]benzoic acid
CID 75951837
3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]thiophene-2-carboxylic acid
CID 10046848

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid?
The IUPAC name of 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid (CID 20521508) is 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid is CCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccccc1OCCC.
What is the InChIKey of 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid?
The InChIKey is NUYZASBXVAAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-3-5-10-17-21-19(20)15(12-18(23)24)22(17)13-14-8-6-7-9-16(14)25-11-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid?
2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid has a molecular weight of 364.87 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid is sourced from PubChem (CID 20521508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).