2-(2-methoxyethyl)-4-methyl-1H-benzimidazole

C11H14N2O — CID 64722498

IUPAC2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
SMILESCOCCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C11H14N2O/c1-8-4-3-5-9-11(8)13-10(12-9)6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyWWMUJDKBBSNVOE-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole

2-(2-methoxyethyl)-4-methyl-1H-benzimidazole (PubChem CID 64722498) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
PubChem CID64722498
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
SMILESCOCCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C11H14N2O/c1-8-4-3-5-9-11(8)13-10(12-9)6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyWWMUJDKBBSNVOE-UHFFFAOYSA-N
XLogP2.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole (CID 64722498) is 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole is COCCc1nc2c(C)cccc2[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole?
The InChIKey is WWMUJDKBBSNVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-4-3-5-9-11(8)13-10(12-9)6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole?
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole has a molecular weight of 190.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 64722498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).