5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one

C9H8F2N2O2 — CID 104632705

IUPAC5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C(F)F)cc2[nH]1
InChIInChI=1S/C9H8F2N2O2/c10-8(11)7(14)4-1-2-5-6(3-4)13-9(15)12-5/h1-3,7-8,14H,(H2,12,13,15)
InChIKeyHJQGADJFZVZAKM-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.15
Rot. Bonds2

About 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one

5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 104632705) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID104632705
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C(F)F)cc2[nH]1
InChIInChI=1S/C9H8F2N2O2/c10-8(11)7(14)4-1-2-5-6(3-4)13-9(15)12-5/h1-3,7-8,14H,(H2,12,13,15)
InChIKeyHJQGADJFZVZAKM-UHFFFAOYSA-N
XLogP1.15
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-difluoro-1-hydroxyethyl)-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

Related Compounds

5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445
5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61086954
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 116836212
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 66475420
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one (CID 104632705) is 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)C(F)F)cc2[nH]1.
What is the InChIKey of 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HJQGADJFZVZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c10-8(11)7(14)4-1-2-5-6(3-4)13-9(15)12-5/h1-3,7-8,14H,(H2,12,13,15).
What are the key properties of 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 214.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 104632705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).