4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one

C13H19N3O — CID 67272996

IUPAC4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one
SMILESCCCC(CC)c1nccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C13H19N3O/c1-4-6-9(5-2)11-12-10(7-8-14-11)15-13(17)16(12)3/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyCMQYMHYYDUPTGY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds4

About 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one

4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 67272996) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID67272996
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one
SMILESCCCC(CC)c1nccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C13H19N3O/c1-4-6-9(5-2)11-12-10(7-8-14-11)15-13(17)16(12)3/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyCMQYMHYYDUPTGY-UHFFFAOYSA-N
XLogP2.56
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one (CID 67272996) is 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one is CCCC(CC)c1nccc2[nH]c(=O)n(C)c12.
What is the InChIKey of 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is CMQYMHYYDUPTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-6-9(5-2)11-12-10(7-8-14-11)15-13(17)16(12)3/h7-9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one?
4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67272996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).