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

C33H29N7 — CID 155809517

IUPAC8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1ccc(Cn2cnc3ccc(-c4nc(-c5ccc6c(c5)ncn6C5CCCCC5)cn5ccnc45)cc32)cc1
InChIInChI=1S/C33H29N7/c1-3-7-23(8-4-1)19-39-21-35-27-13-11-25(18-31(27)39)32-33-34-15-16-38(33)20-29(37-32)24-12-14-30-28(17-24)36-22-40(30)26-9-5-2-6-10-26/h1,3-4,7-8,11-18,20-22,26H,2,5-6,9-10,19H2
InChIKeyGLXVLHSJFJDBAD-UHFFFAOYSA-N
MW523.64 g/mol
LogP7.32
Rot. Bonds5

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

8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 155809517) has the molecular formula C33H29N7 and a molecular weight of 523.64 g/mol. Its IUPAC name is 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID155809517
Molecular FormulaC33H29N7
Molecular Weight523.64 g/mol
Exact Mass523.25
IUPAC Name8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1ccc(Cn2cnc3ccc(-c4nc(-c5ccc6c(c5)ncn6C5CCCCC5)cn5ccnc45)cc32)cc1
InChIInChI=1S/C33H29N7/c1-3-7-23(8-4-1)19-39-21-35-27-13-11-25(18-31(27)39)32-33-34-15-16-38(33)20-29(37-32)24-12-14-30-28(17-24)36-22-40(30)26-9-5-2-6-10-26/h1,3-4,7-8,11-18,20-22,26H,2,5-6,9-10,19H2
InChIKeyGLXVLHSJFJDBAD-UHFFFAOYSA-N
XLogP7.32
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (CID 155809517) is 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is c1ccc(Cn2cnc3ccc(-c4nc(-c5ccc6c(c5)ncn6C5CCCCC5)cn5ccnc45)cc32)cc1.
What is the InChIKey of 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is GLXVLHSJFJDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7/c1-3-7-23(8-4-1)19-39-21-35-27-13-11-25(18-31(27)39)32-33-34-15-16-38(33)20-29(37-32)24-12-14-30-28(17-24)36-22-40(30)26-9-5-2-6-10-26/h1,3-4,7-8,11-18,20-22,26H,2,5-6,9-10,19H2.
What are the key properties of 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 523.64 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155809517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).