2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one

C10H18N2O — CID 106952812

IUPAC2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C(C)(C)C)NC1=O
InChIInChI=1S/C10H18N2O/c1-5-6-7-8(13)12-9(11-7)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyKLYWMOAQVWEHAI-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.73
Rot. Bonds2

About 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one

2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952812) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952812
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C(C)(C)C)NC1=O
InChIInChI=1S/C10H18N2O/c1-5-6-7-8(13)12-9(11-7)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyKLYWMOAQVWEHAI-UHFFFAOYSA-N
XLogP1.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952802
4-ethyl-2-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952766
2-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
2-(1-methoxyethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952910
2-(2-ethoxybutan-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952604
2-(1-ethoxypropyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952938
2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952956
2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952855
2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952926
4-heptyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
CID 82998669
4-ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
CID 106952590

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one (CID 106952812) is 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(C(C)(C)C)NC1=O.
What is the InChIKey of 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is KLYWMOAQVWEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-7-8(13)12-9(11-7)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one?
2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 182.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).