3-ethyl-6-methoxy-1H-benzimidazol-2-one

C10H12N2O2 — CID 45078336

IUPAC3-ethyl-6-methoxy-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(OC)ccc21
InChIInChI=1S/C10H12N2O2/c1-3-12-9-5-4-7(14-2)6-8(9)11-10(12)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyUIOLNBPPYXYIAX-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.36
Rot. Bonds2

About 3-ethyl-6-methoxy-1H-benzimidazol-2-one

3-ethyl-6-methoxy-1H-benzimidazol-2-one (PubChem CID 45078336) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-methoxy-1H-benzimidazol-2-one
PubChem CID45078336
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-ethyl-6-methoxy-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(OC)ccc21
InChIInChI=1S/C10H12N2O2/c1-3-12-9-5-4-7(14-2)6-8(9)11-10(12)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyUIOLNBPPYXYIAX-UHFFFAOYSA-N
XLogP1.36
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-ethyl-6-methoxy-1H-benzimidazol-2-one (CID 45078336) is 3-ethyl-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-ethyl-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-ethyl-6-methoxy-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(OC)ccc21.
What is the InChIKey of 3-ethyl-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is UIOLNBPPYXYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-12-9-5-4-7(14-2)6-8(9)11-10(12)13/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of 3-ethyl-6-methoxy-1H-benzimidazol-2-one?
3-ethyl-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 45078336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).