4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one

C8H15N3O2 — CID 175538688

IUPAC4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)CC(O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H15N3O2/c1-11(2)5-7(12)3-6-4-9-8(13)10-6/h4,7,12H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeyYFQDWHAKZYNMCO-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.83
Rot. Bonds4

About 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one

4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one (PubChem CID 175538688) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
PubChem CID175538688
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)CC(O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H15N3O2/c1-11(2)5-7(12)3-6-4-9-8(13)10-6/h4,7,12H,3,5H2,1-2H3,(H2,9,10,13)
InChIKeyYFQDWHAKZYNMCO-UHFFFAOYSA-N
XLogP-0.83
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one (CID 175538688) is 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one is CN(C)CC(O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The InChIKey is YFQDWHAKZYNMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11(2)5-7(12)3-6-4-9-8(13)10-6/h4,7,12H,3,5H2,1-2H3,(H2,9,10,13).
What are the key properties of 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one has a molecular weight of 185.23 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175538688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).