2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline

C82H53Br2Cl3N10 — CID 162051232

IUPAC2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline
SMILESBrc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Clc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.Clc1nc(-c2cccc3ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H13BrN2.2C18H11ClN2.C14H9ClN2.C13H9BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;19-18-20-16-11-4-3-9-15(16)17(21-18)14-10-5-7-12-6-1-2-8-13(12)14;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-13H;2*1-11H;1-9H;1-9H
InChIKeyYYOOBYHTUUOQOR-UHFFFAOYSA-N
MW1444.56 g/mol
LogP23.38
Rot. Bonds6

About 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline

2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline (PubChem CID 162051232) has the molecular formula C82H53Br2Cl3N10 and a molecular weight of 1444.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline
PubChem CID162051232
Molecular FormulaC82H53Br2Cl3N10
Molecular Weight1444.56 g/mol
Exact Mass1440.19
IUPAC Name2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline
SMILESBrc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Clc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.Clc1nc(-c2cccc3ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H13BrN2.2C18H11ClN2.C14H9ClN2.C13H9BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;19-18-20-16-11-4-3-9-15(16)17(21-18)14-10-5-7-12-6-1-2-8-13(12)14;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-13H;2*1-11H;1-9H;1-9H
InChIKeyYYOOBYHTUUOQOR-UHFFFAOYSA-N
XLogP23.38
TPSA112.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms97
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001444.56
LogP ≤ 523.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline?
The IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline (CID 162051232) is 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline?
The canonical SMILES for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline is Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Clc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.Clc1nc(-c2cccc3ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline?
The InChIKey is YYOOBYHTUUOQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2.2C18H11ClN2.C14H9ClN2.C13H9BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;19-18-20-16-11-4-3-9-15(16)17(21-18)14-10-5-7-12-6-1-2-8-13(12)14;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-13H;2*1-11H;1-9H;1-9H.
What are the key properties of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline?
2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline has a molecular weight of 1444.56 g/mol, XLogP of 23.38, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-1-phenylbenzimidazole;2-chloro-4-naphthalen-1-ylquinazoline;2-chloro-4-naphthalen-2-ylquinazoline;2-chloro-4-phenylquinazoline is sourced from PubChem (CID 162051232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).