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

C15H20N2O2 — CID 66475420

IUPAC5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(C(O)c2ccc3[nH]c(=O)[nH]c3c2)C1(C)C
InChIInChI=1S/C15H20N2O2/c1-14(2)12(15(14,3)4)11(18)8-5-6-9-10(7-8)17-13(19)16-9/h5-7,11-12,18H,1-4H3,(H2,16,17,19)
InChIKeyOILSGJASEXSHEJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds2

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

5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 66475420) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID66475420
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(C(O)c2ccc3[nH]c(=O)[nH]c3c2)C1(C)C
InChIInChI=1S/C15H20N2O2/c1-14(2)12(15(14,3)4)11(18)8-5-6-9-10(7-8)17-13(19)16-9/h5-7,11-12,18H,1-4H3,(H2,16,17,19)
InChIKeyOILSGJASEXSHEJ-UHFFFAOYSA-N
XLogP2.57
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 66475420) is 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is CC1(C)C(C(O)c2ccc3[nH]c(=O)[nH]c3c2)C1(C)C.
What is the InChIKey of 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OILSGJASEXSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-14(2)12(15(14,3)4)11(18)8-5-6-9-10(7-8)17-13(19)16-9/h5-7,11-12,18H,1-4H3,(H2,16,17,19).
What are the key properties of 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 66475420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).