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

C7H13N3O2 — CID 175538672

IUPAC4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)CC(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N3O2/c1-10(2)4-6(11)5-3-8-7(12)9-5/h3,6,11H,4H2,1-2H3,(H2,8,9,12)
InChIKeyDNBNFUPSORURDS-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.70
Rot. Bonds3

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

4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one (PubChem CID 175538672) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
PubChem CID175538672
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
SMILESCN(C)CC(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N3O2/c1-10(2)4-6(11)5-3-8-7(12)9-5/h3,6,11H,4H2,1-2H3,(H2,8,9,12)
InChIKeyDNBNFUPSORURDS-UHFFFAOYSA-N
XLogP-0.70
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one (CID 175538672) is 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one is CN(C)CC(O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is DNBNFUPSORURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10(2)4-6(11)5-3-8-7(12)9-5/h3,6,11H,4H2,1-2H3,(H2,8,9,12).
What are the key properties of 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).