5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one

C12H22N2O — CID 18384747

IUPAC5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-5-6-7-10-8-14(11(15)13-10)9-12(2,3)4/h8H,5-7,9H2,1-4H3,(H,13,15)
InChIKeyPPHFBEVKKCTVDK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.57
Rot. Bonds4

About 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one

5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one (PubChem CID 18384747) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one
PubChem CID18384747
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-5-6-7-10-8-14(11(15)13-10)9-12(2,3)4/h8H,5-7,9H2,1-4H3,(H,13,15)
InChIKeyPPHFBEVKKCTVDK-UHFFFAOYSA-N
XLogP2.57
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.57
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-Hexyl-4-imidazolin-2-one
CID 14572724
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
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
3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
CID 18384319

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one (CID 18384747) is 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one is CCCCc1cn(CC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The InChIKey is PPHFBEVKKCTVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-7-10-8-14(11(15)13-10)9-12(2,3)4/h8H,5-7,9H2,1-4H3,(H,13,15).
What are the key properties of 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one?
5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).