6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one

C11H11N5O — CID 117330218

IUPAC6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3cc(N)n[nH]3)ccc21
InChIInChI=1S/C11H11N5O/c1-16-9-3-2-6(4-8(9)13-11(16)17)7-5-10(12)15-14-7/h2-5H,1H3,(H,13,17)(H3,12,14,15)
InChIKeyIUUFWDYKDUTBBE-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.84
Rot. Bonds1

About 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one

6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 117330218) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
PubChem CID117330218
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3cc(N)n[nH]3)ccc21
InChIInChI=1S/C11H11N5O/c1-16-9-3-2-6(4-8(9)13-11(16)17)7-5-10(12)15-14-7/h2-5H,1H3,(H,13,17)(H3,12,14,15)
InChIKeyIUUFWDYKDUTBBE-UHFFFAOYSA-N
XLogP0.84
TPSA92.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one (CID 117330218) is 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(-c3cc(N)n[nH]3)ccc21.
What is the InChIKey of 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is IUUFWDYKDUTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-9-3-2-6(4-8(9)13-11(16)17)7-5-10(12)15-14-7/h2-5H,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one?
6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 229.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117330218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).