2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine

C11H12N4O — CID 45094437

IUPAC2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine
SMILESCCOc1[nH]n2c(nc3ccccc32)c1N
InChIInChI=1S/C11H12N4O/c1-2-16-11-9(12)10-13-7-5-3-4-6-8(7)15(10)14-11/h3-6,14H,2,12H2,1H3
InChIKeyRPHLDPMGJYTHNT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.80
Rot. Bonds2

About 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine

2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine (PubChem CID 45094437) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine.

Molecular Properties

Compound Name2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine
PubChem CID45094437
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine
SMILESCCOc1[nH]n2c(nc3ccccc32)c1N
InChIInChI=1S/C11H12N4O/c1-2-16-11-9(12)10-13-7-5-3-4-6-8(7)15(10)14-11/h3-6,14H,2,12H2,1H3
InChIKeyRPHLDPMGJYTHNT-UHFFFAOYSA-N
XLogP1.80
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine?
The IUPAC name of 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine (CID 45094437) is 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine.
What is the SMILES notation for 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine?
The canonical SMILES for 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine is CCOc1[nH]n2c(nc3ccccc32)c1N.
What is the InChIKey of 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine?
The InChIKey is RPHLDPMGJYTHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-16-11-9(12)10-13-7-5-3-4-6-8(7)15(10)14-11/h3-6,14H,2,12H2,1H3.
What are the key properties of 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine?
2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine has a molecular weight of 216.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1H-pyrazolo[1,5-a]benzimidazol-3-amine is sourced from PubChem (CID 45094437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).