1-(2-methoxyethyl)-5,6-dimethylbenzimidazole

C12H16N2O — CID 2130269

IUPAC1-(2-methoxyethyl)-5,6-dimethylbenzimidazole
SMILESCOCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C12H16N2O/c1-9-6-11-12(7-10(9)2)14(8-13-11)4-5-15-3/h6-8H,4-5H2,1-3H3
InChIKeyMTCVKMZYOBRKHW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole

1-(2-methoxyethyl)-5,6-dimethylbenzimidazole (PubChem CID 2130269) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5,6-dimethylbenzimidazole
PubChem CID2130269
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-methoxyethyl)-5,6-dimethylbenzimidazole
SMILESCOCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C12H16N2O/c1-9-6-11-12(7-10(9)2)14(8-13-11)4-5-15-3/h6-8H,4-5H2,1-3H3
InChIKeyMTCVKMZYOBRKHW-UHFFFAOYSA-N
XLogP2.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole (CID 2130269) is 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole is COCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole?
The InChIKey is MTCVKMZYOBRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-6-11-12(7-10(9)2)14(8-13-11)4-5-15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole?
1-(2-methoxyethyl)-5,6-dimethylbenzimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 2130269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).