6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

C19H17N5O2 — CID 135620677

IUPAC6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyUSLJLFIVPBIWSH-ONEGZZNKSA-N
MW347.38 g/mol
LogP3.54
Rot. Bonds5

About 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 135620677) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID135620677
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyUSLJLFIVPBIWSH-ONEGZZNKSA-N
XLogP3.54
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 135620677) is 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is COc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is USLJLFIVPBIWSH-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+.
What are the key properties of 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 347.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 135620677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).