2-butyl-4-methyl-4-propyl-1H-imidazol-5-one

C11H20N2O — CID 70274203

IUPAC2-butyl-4-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(CCC)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-4-6-7-9-12-10(14)11(3,13-9)8-5-2/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyIMBXYXZZZHWOCO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.26
Rot. Bonds5

About 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one

2-butyl-4-methyl-4-propyl-1H-imidazol-5-one (PubChem CID 70274203) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4-methyl-4-propyl-1H-imidazol-5-one
PubChem CID70274203
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-butyl-4-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(CCC)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-4-6-7-9-12-10(14)11(3,13-9)8-5-2/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyIMBXYXZZZHWOCO-UHFFFAOYSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
CID 170353554
2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624621
(4S)-2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624622
2-ethyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624626
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one (CID 70274203) is 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one is CCCCC1=NC(C)(CCC)C(=O)N1.
What is the InChIKey of 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one?
The InChIKey is IMBXYXZZZHWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-9-12-10(14)11(3,13-9)8-5-2/h4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one?
2-butyl-4-methyl-4-propyl-1H-imidazol-5-one has a molecular weight of 196.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-4-propyl-1H-imidazol-5-one is sourced from PubChem (CID 70274203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).