1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole

C18H17N5 — CID 11392508

IUPAC1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
SMILESCCn1cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc21
InChIInChI=1S/C18H17N5/c1-3-23-11-19-15-8-7-13(9-17(15)23)14-10-20-22-18(14)16-6-4-5-12(2)21-16/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyOWSNEPKMHVNVKB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.82
Rot. Bonds3

About 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole

1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole (PubChem CID 11392508) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
PubChem CID11392508
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
SMILESCCn1cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc21
InChIInChI=1S/C18H17N5/c1-3-23-11-19-15-8-7-13(9-17(15)23)14-10-20-22-18(14)16-6-4-5-12(2)21-16/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyOWSNEPKMHVNVKB-UHFFFAOYSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole?
The IUPAC name of 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole (CID 11392508) is 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole is CCn1cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc21.
What is the InChIKey of 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole?
The InChIKey is OWSNEPKMHVNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-23-11-19-15-8-7-13(9-17(15)23)14-10-20-22-18(14)16-6-4-5-12(2)21-16/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole?
1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole has a molecular weight of 303.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole is sourced from PubChem (CID 11392508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).