4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen

C7H16N2O — CID 176963063

IUPAC4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen
SMILESCCCc1[nH]c(=O)[nH]c1C.[H][H].[H][H]
InChIInChI=1S/C7H12N2O.2H2/c1-3-4-6-5(2)8-7(10)9-6;;/h3-4H2,1-2H3,(H2,8,9,10);2*1H
InChIKeyJNJCEVMERHZABR-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.46
Rot. Bonds2

About 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen

4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen (PubChem CID 176963063) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen
PubChem CID176963063
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen
SMILESCCCc1[nH]c(=O)[nH]c1C.[H][H].[H][H]
InChIInChI=1S/C7H12N2O.2H2/c1-3-4-6-5(2)8-7(10)9-6;;/h3-4H2,1-2H3,(H2,8,9,10);2*1H
InChIKeyJNJCEVMERHZABR-UHFFFAOYSA-N
XLogP1.46
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen?
The IUPAC name of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen (CID 176963063) is 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen.
What is the SMILES notation for 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen?
The canonical SMILES for 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen is CCCc1[nH]c(=O)[nH]c1C.[H][H].[H][H].
What is the InChIKey of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen?
The InChIKey is JNJCEVMERHZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.2H2/c1-3-4-6-5(2)8-7(10)9-6;;/h3-4H2,1-2H3,(H2,8,9,10);2*1H.
What are the key properties of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen?
4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen has a molecular weight of 144.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen is sourced from PubChem (CID 176963063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).