1,8-dimethylpyrido[1,2-a]benzimidazole

C13H12N2 — CID 134834808

IUPAC1,8-dimethylpyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3cccc(C)n3c2c1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-10(2)4-3-5-13(15)14-11/h3-8H,1-2H3
InChIKeyPAOWZAYDSNXKEM-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.10
Rot. Bonds

About 1,8-dimethylpyrido[1,2-a]benzimidazole

1,8-dimethylpyrido[1,2-a]benzimidazole (PubChem CID 134834808) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,8-dimethylpyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,8-dimethylpyrido[1,2-a]benzimidazole
PubChem CID134834808
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1,8-dimethylpyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3cccc(C)n3c2c1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-10(2)4-3-5-13(15)14-11/h3-8H,1-2H3
InChIKeyPAOWZAYDSNXKEM-UHFFFAOYSA-N
XLogP3.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylpyrido[1,2-a]benzimidazole?
The IUPAC name of 1,8-dimethylpyrido[1,2-a]benzimidazole (CID 134834808) is 1,8-dimethylpyrido[1,2-a]benzimidazole.
What is the SMILES notation for 1,8-dimethylpyrido[1,2-a]benzimidazole?
The canonical SMILES for 1,8-dimethylpyrido[1,2-a]benzimidazole is Cc1ccc2nc3cccc(C)n3c2c1.
What is the InChIKey of 1,8-dimethylpyrido[1,2-a]benzimidazole?
The InChIKey is PAOWZAYDSNXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-10(2)4-3-5-13(15)14-11/h3-8H,1-2H3.
What are the key properties of 1,8-dimethylpyrido[1,2-a]benzimidazole?
1,8-dimethylpyrido[1,2-a]benzimidazole has a molecular weight of 196.25 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylpyrido[1,2-a]benzimidazole is sourced from PubChem (CID 134834808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).