10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline

C20H14BrN3 — CID 4238635

IUPAC10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
SMILESBrc1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1
InChIInChI=1S/C20H14BrN3/c21-16-8-5-13(6-9-16)17-12-24-18(23-17)10-7-15-4-3-14-2-1-11-22-19(14)20(15)24/h1-6,8-9,11-12H,7,10H2
InChIKeyLVXLZDXXAAXWKS-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.95
Rot. Bonds1

About 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline

10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline (PubChem CID 4238635) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline.

Molecular Properties

Compound Name10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
PubChem CID4238635
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
SMILESBrc1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1
InChIInChI=1S/C20H14BrN3/c21-16-8-5-13(6-9-16)17-12-24-18(23-17)10-7-15-4-3-14-2-1-11-22-19(14)20(15)24/h1-6,8-9,11-12H,7,10H2
InChIKeyLVXLZDXXAAXWKS-UHFFFAOYSA-N
XLogP4.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline?
The IUPAC name of 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline (CID 4238635) is 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline.
What is the SMILES notation for 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline?
The canonical SMILES for 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline is Brc1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1.
What is the InChIKey of 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline?
The InChIKey is LVXLZDXXAAXWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-16-8-5-13(6-9-16)17-12-24-18(23-17)10-7-15-4-3-14-2-1-11-22-19(14)20(15)24/h1-6,8-9,11-12H,7,10H2.
What are the key properties of 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline?
10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline has a molecular weight of 376.26 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline is sourced from PubChem (CID 4238635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).