[3-(benzimidazol-1-yl)pyrazol-1-yl]urea

C11H10N6O — CID 68720184

IUPAC[3-(benzimidazol-1-yl)pyrazol-1-yl]urea
SMILESNC(=O)Nn1ccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C11H10N6O/c12-11(18)15-17-6-5-10(14-17)16-7-13-8-3-1-2-4-9(8)16/h1-7H,(H3,12,15,18)
InChIKeySIURPAMNYKXFDO-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.84
Rot. Bonds2

About [3-(benzimidazol-1-yl)pyrazol-1-yl]urea

[3-(benzimidazol-1-yl)pyrazol-1-yl]urea (PubChem CID 68720184) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)pyrazol-1-yl]urea.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)pyrazol-1-yl]urea
PubChem CID68720184
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name[3-(benzimidazol-1-yl)pyrazol-1-yl]urea
SMILESNC(=O)Nn1ccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C11H10N6O/c12-11(18)15-17-6-5-10(14-17)16-7-13-8-3-1-2-4-9(8)16/h1-7H,(H3,12,15,18)
InChIKeySIURPAMNYKXFDO-UHFFFAOYSA-N
XLogP0.84
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)pyrazol-1-yl]urea?
The IUPAC name of [3-(benzimidazol-1-yl)pyrazol-1-yl]urea (CID 68720184) is [3-(benzimidazol-1-yl)pyrazol-1-yl]urea.
What is the SMILES notation for [3-(benzimidazol-1-yl)pyrazol-1-yl]urea?
The canonical SMILES for [3-(benzimidazol-1-yl)pyrazol-1-yl]urea is NC(=O)Nn1ccc(-n2cnc3ccccc32)n1.
What is the InChIKey of [3-(benzimidazol-1-yl)pyrazol-1-yl]urea?
The InChIKey is SIURPAMNYKXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-11(18)15-17-6-5-10(14-17)16-7-13-8-3-1-2-4-9(8)16/h1-7H,(H3,12,15,18).
What are the key properties of [3-(benzimidazol-1-yl)pyrazol-1-yl]urea?
[3-(benzimidazol-1-yl)pyrazol-1-yl]urea has a molecular weight of 242.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)pyrazol-1-yl]urea is sourced from PubChem (CID 68720184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).