3-ethyl-4-methoxy-1H-benzimidazol-2-one

C10H12N2O2 — CID 117209129

IUPAC3-ethyl-4-methoxy-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cccc(OC)c21
InChIInChI=1S/C10H12N2O2/c1-3-12-9-7(11-10(12)13)5-4-6-8(9)14-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyFGSILDQMAWCNEQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.36
Rot. Bonds2

About 3-ethyl-4-methoxy-1H-benzimidazol-2-one

3-ethyl-4-methoxy-1H-benzimidazol-2-one (PubChem CID 117209129) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-methoxy-1H-benzimidazol-2-one
PubChem CID117209129
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-ethyl-4-methoxy-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cccc(OC)c21
InChIInChI=1S/C10H12N2O2/c1-3-12-9-7(11-10(12)13)5-4-6-8(9)14-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyFGSILDQMAWCNEQ-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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Related Compounds

3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208982
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-ethyl-4-methoxy-1H-benzimidazol-2-one (CID 117209129) is 3-ethyl-4-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-ethyl-4-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-ethyl-4-methoxy-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cccc(OC)c21.
What is the InChIKey of 3-ethyl-4-methoxy-1H-benzimidazol-2-one?
The InChIKey is FGSILDQMAWCNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-12-9-7(11-10(12)13)5-4-6-8(9)14-2/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of 3-ethyl-4-methoxy-1H-benzimidazol-2-one?
3-ethyl-4-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-4-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117209129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).