2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C14H17BrN2 — CID 113303163

IUPAC2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1c(Br)ccc2nc3c(n12)C(C)CC(C)C3
InChIInChI=1S/C14H17BrN2/c1-8-6-9(2)14-12(7-8)16-13-5-4-11(15)10(3)17(13)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRFLRFWQXIAIWSO-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.09
Rot. Bonds

About 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 113303163) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID113303163
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1c(Br)ccc2nc3c(n12)C(C)CC(C)C3
InChIInChI=1S/C14H17BrN2/c1-8-6-9(2)14-12(7-8)16-13-5-4-11(15)10(3)17(13)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRFLRFWQXIAIWSO-UHFFFAOYSA-N
XLogP4.09
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 113303163) is 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is Cc1c(Br)ccc2nc3c(n12)C(C)CC(C)C3.
What is the InChIKey of 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is RFLRFWQXIAIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-8-6-9(2)14-12(7-8)16-13-5-4-11(15)10(3)17(13)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,7,9-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 113303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).