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

C12H14N2O2 — CID 117310867

IUPAC4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2ccccc2CCCO)[nH]1
InChIInChI=1S/C12H14N2O2/c15-7-3-5-9-4-1-2-6-10(9)11-8-13-12(16)14-11/h1-2,4,6,8,15H,3,5,7H2,(H2,13,14,16)
InChIKeyQWGAYJXHROSUNZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds4

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

4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one (PubChem CID 117310867) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one
PubChem CID117310867
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2ccccc2CCCO)[nH]1
InChIInChI=1S/C12H14N2O2/c15-7-3-5-9-4-1-2-6-10(9)11-8-13-12(16)14-11/h1-2,4,6,8,15H,3,5,7H2,(H2,13,14,16)
InChIKeyQWGAYJXHROSUNZ-UHFFFAOYSA-N
XLogP1.29
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one
CID 117334646
4-(3-hydroxypropyl)isoindole-1,3-dione
CID 18673592
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
4-(10-hydroxydecyl)isoindole-1,3-dione
CID 118982082
3-[2-[2-[[9-(3-hydroxypropyl)fluoren-9-yl]methyl]phenyl]phenyl]propan-1-ol
CID 118345007
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
3-naphthalen-1-ylpropan-1-ol
CID 14711518
3-(3-hydroxypropyl)-2-(2-phenylphenyl)phenol
CID 174428915
2-[2-(3-hydroxypropylsulfanyl)ethyl]isoindole-1,3-dione
CID 66115003
5-(2-iodophenyl)pentan-1-ol
CID 54534561

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one (CID 117310867) is 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(-c2ccccc2CCCO)[nH]1.
What is the InChIKey of 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one?
The InChIKey is QWGAYJXHROSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-7-3-5-9-4-1-2-6-10(9)11-8-13-12(16)14-11/h1-2,4,6,8,15H,3,5,7H2,(H2,13,14,16).
What are the key properties of 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one?
4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)phenyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 117310867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).