1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole

C14H13N3O — CID 79754204

IUPAC1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
SMILESCOc1cccc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C14H13N3O/c1-10-15-11-6-3-4-7-12(11)17(10)13-8-5-9-14(16-13)18-2/h3-9H,1-2H3
InChIKeyDDWQYBQBPYLTDG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.74
Rot. Bonds2

About 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole

1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole (PubChem CID 79754204) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
PubChem CID79754204
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
SMILESCOc1cccc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C14H13N3O/c1-10-15-11-6-3-4-7-12(11)17(10)13-8-5-9-14(16-13)18-2/h3-9H,1-2H3
InChIKeyDDWQYBQBPYLTDG-UHFFFAOYSA-N
XLogP2.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole (CID 79754204) is 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole is COc1cccc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole?
The InChIKey is DDWQYBQBPYLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-15-11-6-3-4-7-12(11)17(10)13-8-5-9-14(16-13)18-2/h3-9H,1-2H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole?
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole has a molecular weight of 239.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole is sourced from PubChem (CID 79754204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).