2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

C26H23N5O3 — CID 71572386

IUPAC2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESN#Cc1ccc2nc(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)[nH]c2c1
InChIInChI=1S/C26H23N5O3/c27-13-17-3-8-22-23(11-17)31-26(30-22)19-4-9-21(28-15-19)18-5-10-24(29-14-18)34-20-6-1-16(2-7-20)12-25(32)33/h3-5,8-11,14-16,20H,1-2,6-7,12H2,(H,30,31)(H,32,33)
InChIKeyZSOYHMGKJFRGOK-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.97
Rot. Bonds6

About 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572386) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572386
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESN#Cc1ccc2nc(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)[nH]c2c1
InChIInChI=1S/C26H23N5O3/c27-13-17-3-8-22-23(11-17)31-26(30-22)19-4-9-21(28-15-19)18-5-10-24(29-14-18)34-20-6-1-16(2-7-20)12-25(32)33/h3-5,8-11,14-16,20H,1-2,6-7,12H2,(H,30,31)(H,32,33)
InChIKeyZSOYHMGKJFRGOK-UHFFFAOYSA-N
XLogP4.97
TPSA124.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572386) is 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is N#Cc1ccc2nc(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)[nH]c2c1.
What is the InChIKey of 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is ZSOYHMGKJFRGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c27-13-17-3-8-22-23(11-17)31-26(30-22)19-4-9-21(28-15-19)18-5-10-24(29-14-18)34-20-6-1-16(2-7-20)12-25(32)33/h3-5,8-11,14-16,20H,1-2,6-7,12H2,(H,30,31)(H,32,33).
What are the key properties of 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 453.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).