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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-3-pyridin-2-yl-1H-benzimidazol-2-one
CID 54505929
5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
CID 21493453
5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one
CID 22922554
3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
[2,6-dimethyl-6-(6-methyl-2-oxo-3H-benzimidazol-1-yl)heptan-2-yl] carbamate
CID 172737757
2,7-diethoxy-10H-acridin-9-one
CID 163923657
3-tert-butyl-5-methyl-1H-benzimidazol-2-one
CID 117208328
3-ethyl-5-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155557913
5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one
CID 69244397
7-ethoxy-1H-quinolin-2-one
CID 123474288
5-ethoxy-3-[4-[[(4S)-4-methoxycyclohexen-1-yl]methyl]cyclohept-4-en-1-yl]-1H-benzimidazol-2-one;molecular hydrogen
CID 143542628
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050

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).