1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole

C16H17N3O — CID 166647824

IUPAC1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole
SMILESCc1ccc2nc(CCOc3ccccn3)n(C)c2c1
InChIInChI=1S/C16H17N3O/c1-12-6-7-13-14(11-12)19(2)15(18-13)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3
InChIKeyQNIGHCILITUHGI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds4

About 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole

1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole (PubChem CID 166647824) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole
PubChem CID166647824
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole
SMILESCc1ccc2nc(CCOc3ccccn3)n(C)c2c1
InChIInChI=1S/C16H17N3O/c1-12-6-7-13-14(11-12)19(2)15(18-13)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3
InChIKeyQNIGHCILITUHGI-UHFFFAOYSA-N
XLogP2.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole?
The IUPAC name of 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole (CID 166647824) is 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole?
The canonical SMILES for 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole is Cc1ccc2nc(CCOc3ccccn3)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole?
The InChIKey is QNIGHCILITUHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-6-7-13-14(11-12)19(2)15(18-13)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole?
1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole has a molecular weight of 267.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 166647824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).