2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole

C15H15N3 — CID 118245594

IUPAC2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)N1c3ccccc3NC1N2C
InChIInChI=1S/C15H15N3/c1-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)16-15(18)17(13)2/h3-9,15-16H,1-2H3
InChIKeyXRSDIUFEEGFKNQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.29
Rot. Bonds

About 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole

2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole (PubChem CID 118245594) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
PubChem CID118245594
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)N1c3ccccc3NC1N2C
InChIInChI=1S/C15H15N3/c1-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)16-15(18)17(13)2/h3-9,15-16H,1-2H3
InChIKeyXRSDIUFEEGFKNQ-UHFFFAOYSA-N
XLogP3.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole (CID 118245594) is 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole is Cc1ccc2c(c1)N1c3ccccc3NC1N2C.
What is the InChIKey of 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole?
The InChIKey is XRSDIUFEEGFKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)16-15(18)17(13)2/h3-9,15-16H,1-2H3.
What are the key properties of 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole?
2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole has a molecular weight of 237.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 118245594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).