(5,6-dimethyl-1H-benzimidazol-2-yl) acetate

C11H12N2O2 — CID 175286041

IUPAC(5,6-dimethyl-1H-benzimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-6-4-9-10(5-7(6)2)13-11(12-9)15-8(3)14/h4-5H,1-3H3,(H,12,13)
InChIKeyXHGFQRQKDYJZAM-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.11
Rot. Bonds1

About (5,6-dimethyl-1H-benzimidazol-2-yl) acetate

(5,6-dimethyl-1H-benzimidazol-2-yl) acetate (PubChem CID 175286041) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (5,6-dimethyl-1H-benzimidazol-2-yl) acetate.

Molecular Properties

Compound Name(5,6-dimethyl-1H-benzimidazol-2-yl) acetate
PubChem CID175286041
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(5,6-dimethyl-1H-benzimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-6-4-9-10(5-7(6)2)13-11(12-9)15-8(3)14/h4-5H,1-3H3,(H,12,13)
InChIKeyXHGFQRQKDYJZAM-UHFFFAOYSA-N
XLogP2.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1H-benzimidazol-2-yl) acetate?
The IUPAC name of (5,6-dimethyl-1H-benzimidazol-2-yl) acetate (CID 175286041) is (5,6-dimethyl-1H-benzimidazol-2-yl) acetate.
What is the SMILES notation for (5,6-dimethyl-1H-benzimidazol-2-yl) acetate?
The canonical SMILES for (5,6-dimethyl-1H-benzimidazol-2-yl) acetate is CC(=O)Oc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of (5,6-dimethyl-1H-benzimidazol-2-yl) acetate?
The InChIKey is XHGFQRQKDYJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-4-9-10(5-7(6)2)13-11(12-9)15-8(3)14/h4-5H,1-3H3,(H,12,13).
What are the key properties of (5,6-dimethyl-1H-benzimidazol-2-yl) acetate?
(5,6-dimethyl-1H-benzimidazol-2-yl) acetate has a molecular weight of 204.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1H-benzimidazol-2-yl) acetate is sourced from PubChem (CID 175286041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).