1-(2,2-dimethoxyethyl)-2-methylbenzimidazole

C12H16N2O2 — CID 66222131

IUPAC1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
SMILESCOC(Cn1c(C)nc2ccccc21)OC
InChIInChI=1S/C12H16N2O2/c1-9-13-10-6-4-5-7-11(10)14(9)8-12(15-2)16-3/h4-7,12H,8H2,1-3H3
InChIKeyZCFFFVSNLGOJIK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.96
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole

1-(2,2-dimethoxyethyl)-2-methylbenzimidazole (PubChem CID 66222131) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
PubChem CID66222131
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
SMILESCOC(Cn1c(C)nc2ccccc21)OC
InChIInChI=1S/C12H16N2O2/c1-9-13-10-6-4-5-7-11(10)14(9)8-12(15-2)16-3/h4-7,12H,8H2,1-3H3
InChIKeyZCFFFVSNLGOJIK-UHFFFAOYSA-N
XLogP1.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
CID 115707746
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
tert-butyl 2-amino-3-(2-methylbenzimidazol-1-yl)propanoate
CID 121493872
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole?
The IUPAC name of 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole (CID 66222131) is 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole is COC(Cn1c(C)nc2ccccc21)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole?
The InChIKey is ZCFFFVSNLGOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-13-10-6-4-5-7-11(10)14(9)8-12(15-2)16-3/h4-7,12H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole?
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole has a molecular weight of 220.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-2-methylbenzimidazole is sourced from PubChem (CID 66222131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).