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

C9H16N2O — CID 13478903

IUPAC4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
SMILESCCCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyBQSBGTBNUSFIFV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.74
Rot. Bonds4

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

4-methyl-5-pentyl-1,3-dihydroimidazol-2-one (PubChem CID 13478903) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
PubChem CID13478903
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
SMILESCCCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyBQSBGTBNUSFIFV-UHFFFAOYSA-N
XLogP1.74
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid
CID 82406806
5-ethyl-4-sulfanylidene-6-tetradecyl-1H-pyrimidin-2-one
CID 125483893
6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
CID 23648511
3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one
CID 134914218
tetrabutylazanium;1,3,5-triazinane-2,4,6-trione
CID 66977649
1-methyl-3-pentyl-2H-isoindole
CID 91004713
6-(4-bromobutyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 151083652
3,4,5-trihexyl-1H-pyrrol-2-ol
CID 141227855
3-heptyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137199810
5-[(5-formyl-3-hexyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-hexyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 14159660

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one (CID 13478903) is 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one is CCCCCc1[nH]c(=O)[nH]c1C.
What is the InChIKey of 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one?
The InChIKey is BQSBGTBNUSFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one?
4-methyl-5-pentyl-1,3-dihydroimidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 13478903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).