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

C16H22N2O2 — CID 65023133

IUPAC5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCCCC3)cc2[nH]1
InChIInChI=1S/C16H22N2O2/c19-15(11-6-4-2-1-3-5-7-11)12-8-9-13-14(10-12)18-16(20)17-13/h8-11,15,19H,1-7H2,(H2,17,18,20)
InChIKeyLCAVUZQEXAOHET-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds2

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

5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65023133) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID65023133
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCCCC3)cc2[nH]1
InChIInChI=1S/C16H22N2O2/c19-15(11-6-4-2-1-3-5-7-11)12-8-9-13-14(10-12)18-16(20)17-13/h8-11,15,19H,1-7H2,(H2,17,18,20)
InChIKeyLCAVUZQEXAOHET-UHFFFAOYSA-N
XLogP3.25
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213913
5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82500369
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 66475420
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082

Frequently Asked Questions

What is the IUPAC name of 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one (CID 65023133) is 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)C3CCCCCCC3)cc2[nH]1.
What is the InChIKey of 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LCAVUZQEXAOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(11-6-4-2-1-3-5-7-11)12-8-9-13-14(10-12)18-16(20)17-13/h8-11,15,19H,1-7H2,(H2,17,18,20).
What are the key properties of 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65023133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).