2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

C32H26N4O3S5 — CID 121380604

IUPAC2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESCCc1cnc(-c2ccc(-c3cc(CC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7ncc(CO)[nH]7)s6)cc5C)s4)s3)s2)[nH]1
InChIInChI=1S/C32H26N4O3S5/c1-3-18-13-33-31(35-18)24-9-5-21(41-24)27-11-17(12-28(38)39)30(44-27)23-7-6-22(42-23)29-16(2)10-26(43-29)20-4-8-25(40-20)32-34-14-19(15-37)36-32/h4-11,13-14,37H,3,12,15H2,1-2H3,(H,33,35)(H,34,36)(H,38,39)
InChIKeyVGRYAQJREAKPSV-UHFFFAOYSA-N
MW674.92 g/mol
LogP9.43
Rot. Bonds10

About 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (PubChem CID 121380604) has the molecular formula C32H26N4O3S5 and a molecular weight of 674.92 g/mol. Its IUPAC name is 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
PubChem CID121380604
Molecular FormulaC32H26N4O3S5
Molecular Weight674.92 g/mol
Exact Mass674.06
IUPAC Name2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESCCc1cnc(-c2ccc(-c3cc(CC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7ncc(CO)[nH]7)s6)cc5C)s4)s3)s2)[nH]1
InChIInChI=1S/C32H26N4O3S5/c1-3-18-13-33-31(35-18)24-9-5-21(41-24)27-11-17(12-28(38)39)30(44-27)23-7-6-22(42-23)29-16(2)10-26(43-29)20-4-8-25(40-20)32-34-14-19(15-37)36-32/h4-11,13-14,37H,3,12,15H2,1-2H3,(H,33,35)(H,34,36)(H,38,39)
InChIKeyVGRYAQJREAKPSV-UHFFFAOYSA-N
XLogP9.43
TPSA114.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.92
LogP ≤ 59.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid with MolForge

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Related Compounds

2-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-2-[5-[5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139417
2-[2-[5-[3-methyl-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(5-pyridin-3-ylthiophen-2-yl)thiophen-3-yl]acetic acid
CID 90139412
2-[2-[5-[5-[5-[4-(carboxymethyl)-5-[5-(5-chloro-3-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]-5-methylthiophen-3-yl]acetic acid
CID 121380598
2-[5-[5-[2-(aminomethyl)phenyl]thiophen-2-yl]-2-[5-[5-[5-[2-(aminomethyl)phenyl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139420
bis(carbon dioxide);5-[5-[4-(carboxymethyl)-5-[5-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 158329283
2-[3-[5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-[5-(3-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]acetic acid
CID 121380597
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-isocyanothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 155642691
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
CID 121380606
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
3-[2-[5-[5-[5-[4-(aminomethyl)phenyl]thiophen-2-yl]-3-(2-carboxyethyl)thiophen-2-yl]thiophen-2-yl]-5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-3-yl]propanoic acid
CID 121380623

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The IUPAC name of 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (CID 121380604) is 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is CCc1cnc(-c2ccc(-c3cc(CC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7ncc(CO)[nH]7)s6)cc5C)s4)s3)s2)[nH]1.
What is the InChIKey of 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The InChIKey is VGRYAQJREAKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3S5/c1-3-18-13-33-31(35-18)24-9-5-21(41-24)27-11-17(12-28(38)39)30(44-27)23-7-6-22(42-23)29-16(2)10-26(43-29)20-4-8-25(40-20)32-34-14-19(15-37)36-32/h4-11,13-14,37H,3,12,15H2,1-2H3,(H,33,35)(H,34,36)(H,38,39).
What are the key properties of 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid has a molecular weight of 674.92 g/mol, XLogP of 9.43, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(5-ethyl-1H-imidazol-2-yl)thiophen-2-yl]-2-[5-[5-[5-[5-(hydroxymethyl)-1H-imidazol-2-yl]thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is sourced from PubChem (CID 121380604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).