2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

C12H22N2O2 — CID 106952802

IUPAC2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C(CC)(CC)OC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-8-9-10(15)14-11(13-9)12(6-2,7-3)16-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyPLEYTXNARUOTMT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.89
Rot. Bonds6

About 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952802) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952802
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C(CC)(CC)OC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-8-9-10(15)14-11(13-9)12(6-2,7-3)16-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyPLEYTXNARUOTMT-UHFFFAOYSA-N
XLogP1.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
CID 106952812
4-ethyl-2-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952766
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-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953207
2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952926
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-amino-4-(2-methoxy-2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106676684
ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306519

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (CID 106952802) is 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(C(CC)(CC)OC)NC1=O.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is PLEYTXNARUOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-8-9-10(15)14-11(13-9)12(6-2,7-3)16-4/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 226.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).