5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C13H16N2O3 — CID 62213913

IUPAC5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCO3)cc2[nH]1
InChIInChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-18-11)8-4-5-9-10(7-8)15-13(17)14-9/h4-5,7,11-12,16H,1-3,6H2,(H2,14,15,17)
InChIKeyANTJHRAJDIRSRU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.46
Rot. Bonds2

About 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62213913) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62213913
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCO3)cc2[nH]1
InChIInChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-18-11)8-4-5-9-10(7-8)15-13(17)14-9/h4-5,7,11-12,16H,1-3,6H2,(H2,14,15,17)
InChIKeyANTJHRAJDIRSRU-UHFFFAOYSA-N
XLogP1.46
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62213913) is 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)C3CCCCO3)cc2[nH]1.
What is the InChIKey of 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ANTJHRAJDIRSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-18-11)8-4-5-9-10(7-8)15-13(17)14-9/h4-5,7,11-12,16H,1-3,6H2,(H2,14,15,17).
What are the key properties of 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).