2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone

C13H14N4O — CID 116826199

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCc1nc2ccc(C(=O)CC3=NCCN3)cc2[nH]1
InChIInChI=1S/C13H14N4O/c1-8-16-10-3-2-9(6-11(10)17-8)12(18)7-13-14-4-5-15-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCXYJFDCJETWXRP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.45
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 116826199) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
PubChem CID116826199
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCc1nc2ccc(C(=O)CC3=NCCN3)cc2[nH]1
InChIInChI=1S/C13H14N4O/c1-8-16-10-3-2-9(6-11(10)17-8)12(18)7-13-14-4-5-15-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCXYJFDCJETWXRP-UHFFFAOYSA-N
XLogP1.45
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone (CID 116826199) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone is Cc1nc2ccc(C(=O)CC3=NCCN3)cc2[nH]1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is CXYJFDCJETWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-16-10-3-2-9(6-11(10)17-8)12(18)7-13-14-4-5-15-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 242.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 116826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).