4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one

C7H12N2O2 — CID 91319640

IUPAC4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one
SMILESCC(C)C(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N2O2/c1-4(2)6(10)5-3-8-7(11)9-5/h3-4,6,10H,1-2H3,(H2,8,9,11)
InChIKeyCFEIRWYTCIWDPD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.39
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one

4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one (PubChem CID 91319640) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one
PubChem CID91319640
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one
SMILESCC(C)C(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N2O2/c1-4(2)6(10)5-3-8-7(11)9-5/h3-4,6,10H,1-2H3,(H2,8,9,11)
InChIKeyCFEIRWYTCIWDPD-UHFFFAOYSA-N
XLogP0.39
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one (CID 91319640) is 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one is CC(C)C(O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one?
The InChIKey is CFEIRWYTCIWDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(2)6(10)5-3-8-7(11)9-5/h3-4,6,10H,1-2H3,(H2,8,9,11).
What are the key properties of 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one?
4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91319640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).