4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C16H14BrN3 — CID 765716

IUPAC4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESBrc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H14BrN3/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20/h1-8H,9-11H2
InChIKeyLPQYPUPWPOEKCS-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.65
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 765716) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID765716
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESBrc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H14BrN3/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20/h1-8H,9-11H2
InChIKeyLPQYPUPWPOEKCS-UHFFFAOYSA-N
XLogP3.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 765716) is 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is Brc1ccc(CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is LPQYPUPWPOEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20/h1-8H,9-11H2.
What are the key properties of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 328.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 765716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).