3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid

C15H18N2O3S — CID 66154051

IUPAC3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2cncn2C2CC2)c(C(=O)O)s1
InChIInChI=1S/C15H18N2O3S/c1-2-3-12-6-13(14(21-12)15(18)19)20-8-11-7-16-9-17(11)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)
InChIKeyUQSAIHDGRNMJQG-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.51
Rot. Bonds7

About 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid

3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid (PubChem CID 66154051) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid
PubChem CID66154051
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2cncn2C2CC2)c(C(=O)O)s1
InChIInChI=1S/C15H18N2O3S/c1-2-3-12-6-13(14(21-12)15(18)19)20-8-11-7-16-9-17(11)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)
InChIKeyUQSAIHDGRNMJQG-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid
CID 83171087
N-[[5-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66155021
1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
CID 102990484
1-cyclopropyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66148013
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66154635
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948213
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 66152900
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666
3-bromo-4-[(3-cyclopropylimidazol-4-yl)methoxy]benzaldehyde
CID 66153478

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid (CID 66154051) is 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid is CCCc1cc(OCc2cncn2C2CC2)c(C(=O)O)s1.
What is the InChIKey of 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid?
The InChIKey is UQSAIHDGRNMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-3-12-6-13(14(21-12)15(18)19)20-8-11-7-16-9-17(11)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid?
3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 66154051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).