6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine

C25H22BrN5 — CID 155808728

IUPAC6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESBrc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C25H22BrN5/c26-19-9-6-17(7-10-19)22-15-30-13-12-27-25(30)24(29-22)18-8-11-21-23(14-18)31(16-28-21)20-4-2-1-3-5-20/h6-16,20H,1-5H2
InChIKeyZKBXHSGSXIBFCV-UHFFFAOYSA-N
MW472.39 g/mol
LogP6.68
Rot. Bonds3

About 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine

6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 155808728) has the molecular formula C25H22BrN5 and a molecular weight of 472.39 g/mol. Its IUPAC name is 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID155808728
Molecular FormulaC25H22BrN5
Molecular Weight472.39 g/mol
Exact Mass471.11
IUPAC Name6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESBrc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C25H22BrN5/c26-19-9-6-17(7-10-19)22-15-30-13-12-27-25(30)24(29-22)18-8-11-21-23(14-18)31(16-28-21)20-4-2-1-3-5-20/h6-16,20H,1-5H2
InChIKeyZKBXHSGSXIBFCV-UHFFFAOYSA-N
XLogP6.68
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (CID 155808728) is 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is Brc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is ZKBXHSGSXIBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN5/c26-19-9-6-17(7-10-19)22-15-30-13-12-27-25(30)24(29-22)18-8-11-21-23(14-18)31(16-28-21)20-4-2-1-3-5-20/h6-16,20H,1-5H2.
What are the key properties of 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 472.39 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155808728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).