5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one

C13H13N5O — CID 116833612

IUPAC5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccnn1
InChIInChI=1S/C13H13N5O/c14-7-9(10-2-1-5-15-18-10)8-3-4-11-12(6-8)17-13(19)16-11/h1-6,9H,7,14H2,(H2,16,17,19)
InChIKeyGMXBGAHTLXIYBG-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.74
Rot. Bonds3

About 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116833612) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116833612
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccnn1
InChIInChI=1S/C13H13N5O/c14-7-9(10-2-1-5-15-18-10)8-3-4-11-12(6-8)17-13(19)16-11/h1-6,9H,7,14H2,(H2,16,17,19)
InChIKeyGMXBGAHTLXIYBG-UHFFFAOYSA-N
XLogP0.74
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one (CID 116833612) is 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one is NCC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccnn1.
What is the InChIKey of 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GMXBGAHTLXIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-7-9(10-2-1-5-15-18-10)8-3-4-11-12(6-8)17-13(19)16-11/h1-6,9H,7,14H2,(H2,16,17,19).
What are the key properties of 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-pyridazin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116833612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).