2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C26H24N2O4 — CID 15237991

IUPAC2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(Cn1c(=O)n(-c3ccccc3)c3ccccc31)C2
InChIInChI=1S/C26H24N2O4/c29-25(30)17-32-24-12-6-7-19-15-18(13-14-21(19)24)16-27-22-10-4-5-11-23(22)28(26(27)31)20-8-2-1-3-9-20/h1-12,18H,13-17H2,(H,29,30)
InChIKeyLGHSMKAJGNWKMG-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.06
Rot. Bonds6

About 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 15237991) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID15237991
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(Cn1c(=O)n(-c3ccccc3)c3ccccc31)C2
InChIInChI=1S/C26H24N2O4/c29-25(30)17-32-24-12-6-7-19-15-18(13-14-21(19)24)16-27-22-10-4-5-11-23(22)28(26(27)31)20-8-2-1-3-9-20/h1-12,18H,13-17H2,(H,29,30)
InChIKeyLGHSMKAJGNWKMG-UHFFFAOYSA-N
XLogP4.06
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 15237991) is 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCC(Cn1c(=O)n(-c3ccccc3)c3ccccc31)C2.
What is the InChIKey of 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is LGHSMKAJGNWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-25(30)17-32-24-12-6-7-19-15-18(13-14-21(19)24)16-27-22-10-4-5-11-23(22)28(26(27)31)20-8-2-1-3-9-20/h1-12,18H,13-17H2,(H,29,30).
What are the key properties of 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 428.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-oxo-3-phenylbenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 15237991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).