4-methyl-5-propyl-1,3-dihydroimidazol-2-one

C7H12N2O — CID 14090488

IUPAC4-methyl-5-propyl-1,3-dihydroimidazol-2-one
SMILESCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyBQINDCYAEMFPGI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds2

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

4-methyl-5-propyl-1,3-dihydroimidazol-2-one (PubChem CID 14090488) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-5-propyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-methyl-5-propyl-1,3-dihydroimidazol-2-one
PubChem CID14090488
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-5-propyl-1,3-dihydroimidazol-2-one
SMILESCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyBQINDCYAEMFPGI-UHFFFAOYSA-N
XLogP0.96
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.96
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?
The IUPAC name of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one (CID 14090488) is 4-methyl-5-propyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-methyl-5-propyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-methyl-5-propyl-1,3-dihydroimidazol-2-one is CCCc1[nH]c(=O)[nH]c1C.
What is the InChIKey of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one?
The InChIKey is BQINDCYAEMFPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 4-methyl-5-propyl-1,3-dihydroimidazol-2-one?
4-methyl-5-propyl-1,3-dihydroimidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.96, 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 is sourced from PubChem (CID 14090488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).