ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate

C14H20N2O3 — CID 90870116

IUPACethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
SMILESCC.COC(=O)C(O)c1cccc2c1nc(C)n2C
InChIInChI=1S/C12H14N2O3.C2H6/c1-7-13-10-8(11(15)12(16)17-3)5-4-6-9(10)14(7)2;1-2/h4-6,11,15H,1-3H3;1-2H3
InChIKeyRENITOVGLZXWNB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds2

About ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate

ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate (PubChem CID 90870116) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
PubChem CID90870116
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
SMILESCC.COC(=O)C(O)c1cccc2c1nc(C)n2C
InChIInChI=1S/C12H14N2O3.C2H6/c1-7-13-10-8(11(15)12(16)17-3)5-4-6-9(10)14(7)2;1-2/h4-6,11,15H,1-3H3;1-2H3
InChIKeyRENITOVGLZXWNB-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
CID 117378565
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
ethane;methyl 3-(1,2-dimethylbenzimidazol-4-yl)-3-(methylamino)propanoate;methyl 3-(1,2-dimethylbenzimidazol-4-yl)-3-oxopropanoate
CID 158206366
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
CID 117346029
methyl 2-(1,3-benzothiazol-4-yl)-2-hydroxyacetate
CID 117319556
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
CID 130900213
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
CID 117414834

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate?
The IUPAC name of ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate (CID 90870116) is ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate.
What is the SMILES notation for ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate?
The canonical SMILES for ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate is CC.COC(=O)C(O)c1cccc2c1nc(C)n2C.
What is the InChIKey of ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate?
The InChIKey is RENITOVGLZXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C2H6/c1-7-13-10-8(11(15)12(16)17-3)5-4-6-9(10)14(7)2;1-2/h4-6,11,15H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate?
ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate has a molecular weight of 264.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 90870116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).