5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

C14H14N2O2 — CID 126610112

IUPAC5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C14H14N2O2/c1-8(2)12-5-6-13(18-12)9-3-4-10-11(7-9)16-14(17)15-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVZQFHMBLVNDICI-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.24
Rot. Bonds2

About 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 126610112) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID126610112
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C14H14N2O2/c1-8(2)12-5-6-13(18-12)9-3-4-10-11(7-9)16-14(17)15-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVZQFHMBLVNDICI-UHFFFAOYSA-N
XLogP3.24
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 126610112) is 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is CC(C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VZQFHMBLVNDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8(2)12-5-6-13(18-12)9-3-4-10-11(7-9)16-14(17)15-10/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 242.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 126610112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).