2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine

C11H11N5O — CID 116792483

IUPAC2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
SMILESCn1cc(Oc2nc3ccc(N)cc3[nH]2)cn1
InChIInChI=1S/C11H11N5O/c1-16-6-8(5-13-16)17-11-14-9-3-2-7(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15)
InChIKeyFKVSEOOKZXLTEO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.67
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine

2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine (PubChem CID 116792483) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
PubChem CID116792483
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
SMILESCn1cc(Oc2nc3ccc(N)cc3[nH]2)cn1
InChIInChI=1S/C11H11N5O/c1-16-6-8(5-13-16)17-11-14-9-3-2-7(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15)
InChIKeyFKVSEOOKZXLTEO-UHFFFAOYSA-N
XLogP1.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-1-yl)-1H-1,3-benzodiazole
CID 639420
2-(1H-benzimidazol-2-ylamino)-1H-imidazol-5-ol
CID 56969911
[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate
CID 68418099
[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl] N-(1-ethyl-2-methylbenzimidazol-5-yl)carbamate
CID 68419122
[1-(4,6-difluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117938828
[1-(6-fluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117938974
[1-(5,6-difluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117939138
[1-(4,5-difluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117939149
[1-(4-fluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117939155
[1-(6-fluoro-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117939166
[1-(4,5,6-trifluoro-1H-benzimidazol-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 117939219
6-fluoro-2-methyl-5-pyrazol-1-yl-1H-benzimidazole
CID 121296278

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine (CID 116792483) is 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine is Cn1cc(Oc2nc3ccc(N)cc3[nH]2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine?
The InChIKey is FKVSEOOKZXLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-6-8(5-13-16)17-11-14-9-3-2-7(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine?
2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine has a molecular weight of 229.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine is sourced from PubChem (CID 116792483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).