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

C7H12N2O — CID 59373423

IUPAC2-methyl-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C)NC1=O
InChIInChI=1S/C7H12N2O/c1-3-4-6-7(10)9-5(2)8-6/h6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyDOALUPOHTPOJJC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.70
Rot. Bonds2

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

2-methyl-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 59373423) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methyl-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-methyl-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID59373423
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-methyl-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C)NC1=O
InChIInChI=1S/C7H12N2O/c1-3-4-6-7(10)9-5(2)8-6/h6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyDOALUPOHTPOJJC-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
4-Propyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952817
4-Propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
CID 106952985
2-(2-Aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 10290843
2-butyl-3,5-dihydro-4H-imidazol-4-one
CID 10909654
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
4-Methyl-2-propan-2-yl-1,4-dihydroimidazol-5-one
CID 18961683
2-Ethyl-5-methyl-1H-imidazol-4(5H)-one
CID 45092625
6-Methyl-5,7-diazaspiro[3.4]oct-5-EN-8-one
CID 55265203
2-Pentyl-1,4-dihydroimidazol-5-one
CID 67877839
2-Ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 70091245
2-Butyl-4-pentyl-1,4-dihydroimidazol-5-one
CID 70330165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-methyl-4-propyl-1,4-dihydroimidazol-5-one (CID 59373423) is 2-methyl-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-methyl-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-methyl-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(C)NC1=O.
What is the InChIKey of 2-methyl-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is DOALUPOHTPOJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6-7(10)9-5(2)8-6/h6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-methyl-4-propyl-1,4-dihydroimidazol-5-one?
2-methyl-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 140.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 59373423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).