6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one

C13H14N4O — CID 169489610

IUPAC6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(C)c1nccn1C1C=CC2=NC(=O)NC2=C1
InChIInChI=1S/C13H14N4O/c1-8(2)12-14-5-6-17(12)9-3-4-10-11(7-9)16-13(18)15-10/h3-9H,1-2H3,(H,16,18)
InChIKeyRUJYNQBGUOSJBN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.17
Rot. Bonds2

About 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one

6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 169489610) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one
PubChem CID169489610
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(C)c1nccn1C1C=CC2=NC(=O)NC2=C1
InChIInChI=1S/C13H14N4O/c1-8(2)12-14-5-6-17(12)9-3-4-10-11(7-9)16-13(18)15-10/h3-9H,1-2H3,(H,16,18)
InChIKeyRUJYNQBGUOSJBN-UHFFFAOYSA-N
XLogP2.17
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one (CID 169489610) is 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one is CC(C)c1nccn1C1C=CC2=NC(=O)NC2=C1.
What is the InChIKey of 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is RUJYNQBGUOSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8(2)12-14-5-6-17(12)9-3-4-10-11(7-9)16-13(18)15-10/h3-9H,1-2H3,(H,16,18).
What are the key properties of 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one?
6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 242.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylimidazol-1-yl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 169489610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).