4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine

C12H15N3 — CID 171064678

IUPAC4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
SMILESCC1CCCn2c1nc1c(N)cccc12
InChIInChI=1S/C12H15N3/c1-8-4-3-7-15-10-6-2-5-9(13)11(10)14-12(8)15/h2,5-6,8H,3-4,7,13H2,1H3
InChIKeyPUPAWDACPGCRAR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.52
Rot. Bonds

About 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine

4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine (PubChem CID 171064678) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine.

Molecular Properties

Compound Name4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
PubChem CID171064678
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
SMILESCC1CCCn2c1nc1c(N)cccc12
InChIInChI=1S/C12H15N3/c1-8-4-3-7-15-10-6-2-5-9(13)11(10)14-12(8)15/h2,5-6,8H,3-4,7,13H2,1H3
InChIKeyPUPAWDACPGCRAR-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The IUPAC name of 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine (CID 171064678) is 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine.
What is the SMILES notation for 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The canonical SMILES for 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine is CC1CCCn2c1nc1c(N)cccc12.
What is the InChIKey of 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The InChIKey is PUPAWDACPGCRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-3-7-15-10-6-2-5-9(13)11(10)14-12(8)15/h2,5-6,8H,3-4,7,13H2,1H3.
What are the key properties of 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine has a molecular weight of 201.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine is sourced from PubChem (CID 171064678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).