5-butyl-3-methyl-1H-imidazol-2-one

C8H14N2O — CID 18384537

IUPAC5-butyl-3-methyl-1H-imidazol-2-one
SMILESCCCCc1cn(C)c(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6-10(2)8(11)9-7/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyQXUWVDHYLPVCFR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds3

About 5-butyl-3-methyl-1H-imidazol-2-one

5-butyl-3-methyl-1H-imidazol-2-one (PubChem CID 18384537) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-butyl-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-methyl-1H-imidazol-2-one
PubChem CID18384537
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-butyl-3-methyl-1H-imidazol-2-one
SMILESCCCCc1cn(C)c(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6-10(2)8(11)9-7/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyQXUWVDHYLPVCFR-UHFFFAOYSA-N
XLogP1.06
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
4-(3-Aminopropyl)-1,3-dihydroimidazol-2-one
CID 11458001
4-Hexyl-4-imidazolin-2-one
CID 14572724
1-Cyclopentyl-1,3-dihydro-4-methyl-2H-imidazol-2-one
CID 45088913
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723
1,4-Dibutylimidazol-2-one
CID 15405728
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
5-butyl-3-(2-cyclopropylethyl)-1H-imidazol-2-one
CID 18384267

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-methyl-1H-imidazol-2-one (CID 18384537) is 5-butyl-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-methyl-1H-imidazol-2-one is CCCCc1cn(C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-methyl-1H-imidazol-2-one?
The InChIKey is QXUWVDHYLPVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-5-7-6-10(2)8(11)9-7/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 5-butyl-3-methyl-1H-imidazol-2-one?
5-butyl-3-methyl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 18384537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).