4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole

C16H22N2 — CID 103961742

IUPAC4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
SMILESCc1cccn2c3c(nc12)CC(C)(C)CC3(C)C
InChIInChI=1S/C16H22N2/c1-11-7-6-8-18-13-12(17-14(11)18)9-15(2,3)10-16(13,4)5/h6-8H,9-10H2,1-5H3
InChIKeyPYRIUDAIWBUZOX-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.89
Rot. Bonds

About 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole

4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole (PubChem CID 103961742) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
PubChem CID103961742
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
SMILESCc1cccn2c3c(nc12)CC(C)(C)CC3(C)C
InChIInChI=1S/C16H22N2/c1-11-7-6-8-18-13-12(17-14(11)18)9-15(2,3)10-16(13,4)5/h6-8H,9-10H2,1-5H3
InChIKeyPYRIUDAIWBUZOX-UHFFFAOYSA-N
XLogP3.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole?
The IUPAC name of 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole (CID 103961742) is 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole is Cc1cccn2c3c(nc12)CC(C)(C)CC3(C)C.
What is the InChIKey of 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole?
The InChIKey is PYRIUDAIWBUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-7-6-8-18-13-12(17-14(11)18)9-15(2,3)10-16(13,4)5/h6-8H,9-10H2,1-5H3.
What are the key properties of 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole?
4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole has a molecular weight of 242.37 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 103961742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).