5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one

C14H20N2O3 — CID 54017342

IUPAC5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C(C)(C)COC)c2c1
InChIInChI=1S/C14H20N2O3/c1-5-19-10-6-7-11-12(8-10)16(13(17)15-11)14(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,17)
InChIKeyKWNBDEVOONGXOC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds5

About 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one

5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one (PubChem CID 54017342) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one
PubChem CID54017342
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C(C)(C)COC)c2c1
InChIInChI=1S/C14H20N2O3/c1-5-19-10-6-7-11-12(8-10)16(13(17)15-11)14(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,17)
InChIKeyKWNBDEVOONGXOC-UHFFFAOYSA-N
XLogP2.11
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one (CID 54017342) is 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one is CCOc1ccc2[nH]c(=O)n(C(C)(C)COC)c2c1.
What is the InChIKey of 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one?
The InChIKey is KWNBDEVOONGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-19-10-6-7-11-12(8-10)16(13(17)15-11)14(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,17).
What are the key properties of 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one?
5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 54017342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).