3,5-dibutyl-1H-imidazol-2-one

C11H20N2O — CID 15405728

IUPAC3,5-dibutyl-1H-imidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-3-5-7-10-9-13(8-6-4-2)11(14)12-10/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyNRTNNBAHAGNSKZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.32
Rot. Bonds6

About 3,5-dibutyl-1H-imidazol-2-one

3,5-dibutyl-1H-imidazol-2-one (PubChem CID 15405728) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,5-dibutyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,5-dibutyl-1H-imidazol-2-one
PubChem CID15405728
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3,5-dibutyl-1H-imidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-3-5-7-10-9-13(8-6-4-2)11(14)12-10/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyNRTNNBAHAGNSKZ-UHFFFAOYSA-N
XLogP2.32
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
3-butyl-5-cyclohexyl-1H-imidazol-2-one
CID 18384184
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
5-butyl-3-(2-cyclopropylethyl)-1H-imidazol-2-one
CID 18384267
3-butyl-5-(3-methylbutyl)-1H-imidazol-2-one
CID 18384306

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-1H-imidazol-2-one?
The IUPAC name of 3,5-dibutyl-1H-imidazol-2-one (CID 15405728) is 3,5-dibutyl-1H-imidazol-2-one.
What is the SMILES notation for 3,5-dibutyl-1H-imidazol-2-one?
The canonical SMILES for 3,5-dibutyl-1H-imidazol-2-one is CCCCc1cn(CCCC)c(=O)[nH]1.
What is the InChIKey of 3,5-dibutyl-1H-imidazol-2-one?
The InChIKey is NRTNNBAHAGNSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-7-10-9-13(8-6-4-2)11(14)12-10/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 3,5-dibutyl-1H-imidazol-2-one?
3,5-dibutyl-1H-imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-1H-imidazol-2-one is sourced from PubChem (CID 15405728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).