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

C23H21N5S — CID 155812299

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESc1csc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1
InChIInChI=1S/C23H21N5S/c1-2-5-17(6-3-1)28-15-25-18-9-8-16(13-20(18)28)22-23-24-10-11-27(23)14-19(26-22)21-7-4-12-29-21/h4,7-15,17H,1-3,5-6H2
InChIKeyAGFWCQZBIUVSKS-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.98
Rot. Bonds3

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

8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (PubChem CID 155812299) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
PubChem CID155812299
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESc1csc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1
InChIInChI=1S/C23H21N5S/c1-2-5-17(6-3-1)28-15-25-18-9-8-16(13-20(18)28)22-23-24-10-11-27(23)14-19(26-22)21-7-4-12-29-21/h4,7-15,17H,1-3,5-6H2
InChIKeyAGFWCQZBIUVSKS-UHFFFAOYSA-N
XLogP5.98
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (CID 155812299) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is c1csc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is AGFWCQZBIUVSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-2-5-17(6-3-1)28-15-25-18-9-8-16(13-20(18)28)22-23-24-10-11-27(23)14-19(26-22)21-7-4-12-29-21/h4,7-15,17H,1-3,5-6H2.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 399.52 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155812299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).