2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole

C11H14N2O — CID 82946869

IUPAC2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOCc1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C11H14N2O/c1-7-4-8(2)11-9(5-7)12-10(13-11)6-14-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyDPXIRZQEFIYAAQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.33
Rot. Bonds2

About 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole

2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946869) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82946869
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOCc1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C11H14N2O/c1-7-4-8(2)11-9(5-7)12-10(13-11)6-14-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyDPXIRZQEFIYAAQ-UHFFFAOYSA-N
XLogP2.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole (CID 82946869) is 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole is COCc1nc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is DPXIRZQEFIYAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-8(2)11-9(5-7)12-10(13-11)6-14-3/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole?
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 190.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).