3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol

C11H13N3O — CID 115022967

IUPAC3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
SMILESNC1CCn2c(nc3c(O)cccc32)C1
InChIInChI=1S/C11H13N3O/c12-7-4-5-14-8-2-1-3-9(15)11(8)13-10(14)6-7/h1-3,7,15H,4-6,12H2
InChIKeyTXNKJNHAHXHZTC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.02
Rot. Bonds

About 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol

3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol (PubChem CID 115022967) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol.

Molecular Properties

Compound Name3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
PubChem CID115022967
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
SMILESNC1CCn2c(nc3c(O)cccc32)C1
InChIInChI=1S/C11H13N3O/c12-7-4-5-14-8-2-1-3-9(15)11(8)13-10(14)6-7/h1-3,7,15H,4-6,12H2
InChIKeyTXNKJNHAHXHZTC-UHFFFAOYSA-N
XLogP1.02
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The IUPAC name of 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol (CID 115022967) is 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol.
What is the SMILES notation for 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The canonical SMILES for 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol is NC1CCn2c(nc3c(O)cccc32)C1.
What is the InChIKey of 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
The InChIKey is TXNKJNHAHXHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-4-5-14-8-2-1-3-9(15)11(8)13-10(14)6-7/h1-3,7,15H,4-6,12H2.
What are the key properties of 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol?
3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol has a molecular weight of 203.25 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol is sourced from PubChem (CID 115022967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).