ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

C14H16N2O2 — CID 144951341

IUPACethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC.Cc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C12H10N2O2.C2H6/c1-7-2-5-11(16-7)8-3-4-9-10(6-8)14-12(15)13-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3
InChIKeyQBZVZWSQBBMNCP-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.45
Rot. Bonds1

About ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 144951341) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Nameethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID144951341
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC.Cc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C12H10N2O2.C2H6/c1-7-2-5-11(16-7)8-3-4-9-10(6-8)14-12(15)13-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3
InChIKeyQBZVZWSQBBMNCP-UHFFFAOYSA-N
XLogP3.45
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 144951341) is ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is CC.Cc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QBZVZWSQBBMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.C2H6/c1-7-2-5-11(16-7)8-3-4-9-10(6-8)14-12(15)13-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3.
What are the key properties of ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 144951341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).