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

C10H12N2O — CID 84618376

IUPAC4-ethyl-3-methyl-1H-benzimidazol-2-one
SMILESCCc1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C10H12N2O/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyBALHQVILBUKTAX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds1

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

4-ethyl-3-methyl-1H-benzimidazol-2-one (PubChem CID 84618376) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-1H-benzimidazol-2-one
PubChem CID84618376
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-ethyl-3-methyl-1H-benzimidazol-2-one
SMILESCCc1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C10H12N2O/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyBALHQVILBUKTAX-UHFFFAOYSA-N
XLogP1.43
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4-ethyl-3-methyl-1H-benzimidazol-2-one (CID 84618376) is 4-ethyl-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-ethyl-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-ethyl-3-methyl-1H-benzimidazol-2-one is CCc1cccc2[nH]c(=O)n(C)c12.
What is the InChIKey of 4-ethyl-3-methyl-1H-benzimidazol-2-one?
The InChIKey is BALHQVILBUKTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of 4-ethyl-3-methyl-1H-benzimidazol-2-one?
4-ethyl-3-methyl-1H-benzimidazol-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 84618376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).