1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine

C20H23N5O — CID 142974545

IUPAC1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine
SMILESCOCCn1cnc2ccc(C)cc21.Cc1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C11H14N2O.C9H9N3/c1-9-3-4-10-11(7-9)13(8-12-10)5-6-14-2;1-7-3-2-4-8(11-7)9-5-6-10-12-9/h3-4,7-8H,5-6H2,1-2H3;2-6H,1H3,(H,10,12)
InChIKeyCFSDGAKPCCYZAR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine

1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine (PubChem CID 142974545) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine
PubChem CID142974545
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine
SMILESCOCCn1cnc2ccc(C)cc21.Cc1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C11H14N2O.C9H9N3/c1-9-3-4-10-11(7-9)13(8-12-10)5-6-14-2;1-7-3-2-4-8(11-7)9-5-6-10-12-9/h3-4,7-8H,5-6H2,1-2H3;2-6H,1H3,(H,10,12)
InChIKeyCFSDGAKPCCYZAR-UHFFFAOYSA-N
XLogP3.77
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine (CID 142974545) is 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine is COCCn1cnc2ccc(C)cc21.Cc1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine?
The InChIKey is CFSDGAKPCCYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C9H9N3/c1-9-3-4-10-11(7-9)13(8-12-10)5-6-14-2;1-7-3-2-4-8(11-7)9-5-6-10-12-9/h3-4,7-8H,5-6H2,1-2H3;2-6H,1H3,(H,10,12).
What are the key properties of 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine?
1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine has a molecular weight of 349.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-methylbenzimidazole;2-methyl-6-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 142974545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).