2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C23H22N2O4 — CID 71059056

IUPAC2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCn1ccnc1-c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C23H22N2O4/c1-25-10-9-24-23(25)19-4-2-3-18-17(19)7-8-20(18)29-15-5-6-16-14(11-22(26)27)13-28-21(16)12-15/h2-6,9-10,12,14,20H,7-8,11,13H2,1H3,(H,26,27)/t14?,20-/m1/s1
InChIKeyDQCBZIQCKLGCAJ-YBMSBYLISA-N
MW390.44 g/mol
LogP4.10
Rot. Bonds5

About 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 71059056) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID71059056
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCn1ccnc1-c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C23H22N2O4/c1-25-10-9-24-23(25)19-4-2-3-18-17(19)7-8-20(18)29-15-5-6-16-14(11-22(26)27)13-28-21(16)12-15/h2-6,9-10,12,14,20H,7-8,11,13H2,1H3,(H,26,27)/t14?,20-/m1/s1
InChIKeyDQCBZIQCKLGCAJ-YBMSBYLISA-N
XLogP4.10
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 71059056) is 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cn1ccnc1-c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is DQCBZIQCKLGCAJ-YBMSBYLISA-N. The full InChI is InChI=1S/C23H22N2O4/c1-25-10-9-24-23(25)19-4-2-3-18-17(19)7-8-20(18)29-15-5-6-16-14(11-22(26)27)13-28-21(16)12-15/h2-6,9-10,12,14,20H,7-8,11,13H2,1H3,(H,26,27)/t14?,20-/m1/s1.
What are the key properties of 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 390.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 71059056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).