1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile

C25H17N9O2 — CID 67110314

IUPAC1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile
SMILESCc1nc(-c2ccc(Oc3cc4nc(-c5ccccn5)[nH]c4cc3Cn3ccnc3C#N)cn2)no1
InChIInChI=1S/C25H17N9O2/c1-15-30-25(33-36-15)19-6-5-17(13-29-19)35-22-11-21-20(31-24(32-21)18-4-2-3-7-27-18)10-16(22)14-34-9-8-28-23(34)12-26/h2-11,13H,14H2,1H3,(H,31,32)
InChIKeyHKNDQIGZAPXPND-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.29
Rot. Bonds6

About 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile

1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile (PubChem CID 67110314) has the molecular formula C25H17N9O2 and a molecular weight of 475.47 g/mol. Its IUPAC name is 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile
PubChem CID67110314
Molecular FormulaC25H17N9O2
Molecular Weight475.47 g/mol
Exact Mass475.15
IUPAC Name1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile
SMILESCc1nc(-c2ccc(Oc3cc4nc(-c5ccccn5)[nH]c4cc3Cn3ccnc3C#N)cn2)no1
InChIInChI=1S/C25H17N9O2/c1-15-30-25(33-36-15)19-6-5-17(13-29-19)35-22-11-21-20(31-24(32-21)18-4-2-3-7-27-18)10-16(22)14-34-9-8-28-23(34)12-26/h2-11,13H,14H2,1H3,(H,31,32)
InChIKeyHKNDQIGZAPXPND-UHFFFAOYSA-N
XLogP4.29
TPSA144.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile (CID 67110314) is 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile is Cc1nc(-c2ccc(Oc3cc4nc(-c5ccccn5)[nH]c4cc3Cn3ccnc3C#N)cn2)no1.
What is the InChIKey of 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile?
The InChIKey is HKNDQIGZAPXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N9O2/c1-15-30-25(33-36-15)19-6-5-17(13-29-19)35-22-11-21-20(31-24(32-21)18-4-2-3-7-27-18)10-16(22)14-34-9-8-28-23(34)12-26/h2-11,13H,14H2,1H3,(H,31,32).
What are the key properties of 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile?
1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile has a molecular weight of 475.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazole-2-carbonitrile is sourced from PubChem (CID 67110314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).