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

C26H22F3N5 — CID 155814909

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1
InChIInChI=1S/C26H22F3N5/c27-26(28,29)19-6-4-5-17(13-19)22-15-33-12-11-30-25(33)24(32-22)18-9-10-21-23(14-18)34(16-31-21)20-7-2-1-3-8-20/h4-6,9-16,20H,1-3,7-8H2
InChIKeyIMQUODVJNZHDOA-UHFFFAOYSA-N
MW461.49 g/mol
LogP6.94
Rot. Bonds3

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

8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 155814909) has the molecular formula C26H22F3N5 and a molecular weight of 461.49 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID155814909
Molecular FormulaC26H22F3N5
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1
InChIInChI=1S/C26H22F3N5/c27-26(28,29)19-6-4-5-17(13-19)22-15-33-12-11-30-25(33)24(32-22)18-9-10-21-23(14-18)34(16-31-21)20-7-2-1-3-8-20/h4-6,9-16,20H,1-3,7-8H2
InChIKeyIMQUODVJNZHDOA-UHFFFAOYSA-N
XLogP6.94
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 155814909) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is FC(F)(F)c1cccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is IMQUODVJNZHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5/c27-26(28,29)19-6-4-5-17(13-19)22-15-33-12-11-30-25(33)24(32-22)18-9-10-21-23(14-18)34(16-31-21)20-7-2-1-3-8-20/h4-6,9-16,20H,1-3,7-8H2.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 461.49 g/mol, XLogP of 6.94, 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-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155814909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).