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

C25H23N5 — CID 155810657

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine
SMILESc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C25H23N5/c1-3-7-18(8-4-1)22-16-29-14-13-26-25(29)24(28-22)19-11-12-21-23(15-19)30(17-27-21)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2
InChIKeyKIKTVYLBIUMUSU-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.92
Rot. Bonds3

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

8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine (PubChem CID 155810657) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine
PubChem CID155810657
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine
SMILESc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C25H23N5/c1-3-7-18(8-4-1)22-16-29-14-13-26-25(29)24(28-22)19-11-12-21-23(15-19)30(17-27-21)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2
InChIKeyKIKTVYLBIUMUSU-UHFFFAOYSA-N
XLogP5.92
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine (CID 155810657) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine is c1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine?
The InChIKey is KIKTVYLBIUMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-3-7-18(8-4-1)22-16-29-14-13-26-25(29)24(28-22)19-11-12-21-23(15-19)30(17-27-21)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine has a molecular weight of 393.49 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylbenzimidazol-5-yl)-6-phenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).