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

C32H33N7 — CID 155812505

IUPAC6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4c(c3)ncn4C3CCCCC3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-21-35-27-17-22(12-14-29(27)38)28-19-37-16-15-33-32(37)31(36-28)23-11-13-26-30(18-23)39(20-34-26)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2
InChIKeyBNEGTXFCUBWOEH-UHFFFAOYSA-N
MW515.67 g/mol
LogP7.77
Rot. Bonds4

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

6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 155812505) has the molecular formula C32H33N7 and a molecular weight of 515.67 g/mol. Its IUPAC name is 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID155812505
Molecular FormulaC32H33N7
Molecular Weight515.67 g/mol
Exact Mass515.28
IUPAC Name6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4c(c3)ncn4C3CCCCC3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-21-35-27-17-22(12-14-29(27)38)28-19-37-16-15-33-32(37)31(36-28)23-11-13-26-30(18-23)39(20-34-26)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2
InChIKeyBNEGTXFCUBWOEH-UHFFFAOYSA-N
XLogP7.77
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (CID 155812505) is 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is c1cn2cc(-c3ccc4c(c3)ncn4C3CCCCC3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1.
What is the InChIKey of 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is BNEGTXFCUBWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-21-35-27-17-22(12-14-29(27)38)28-19-37-16-15-33-32(37)31(36-28)23-11-13-26-30(18-23)39(20-34-26)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2.
What are the key properties of 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 515.67 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155812505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).