8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine

C26H25N5O — CID 155810732

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C26H25N5O/c1-32-21-10-7-18(8-11-21)23-16-30-14-13-27-26(30)25(29-23)19-9-12-22-24(15-19)31(17-28-22)20-5-3-2-4-6-20/h7-17,20H,2-6H2,1H3
InChIKeyVGPAWEQJKSLZJA-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.93
Rot. Bonds4

About 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine

8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 155810732) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID155810732
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1
InChIInChI=1S/C26H25N5O/c1-32-21-10-7-18(8-11-21)23-16-30-14-13-27-26(30)25(29-23)19-9-12-22-24(15-19)31(17-28-22)20-5-3-2-4-6-20/h7-17,20H,2-6H2,1H3
InChIKeyVGPAWEQJKSLZJA-UHFFFAOYSA-N
XLogP5.93
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.93
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-(4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine (CID 155810732) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine is COc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is VGPAWEQJKSLZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-32-21-10-7-18(8-11-21)23-16-30-14-13-27-26(30)25(29-23)19-9-12-22-24(15-19)31(17-28-22)20-5-3-2-4-6-20/h7-17,20H,2-6H2,1H3.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 423.52 g/mol, XLogP of 5.93, 4 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-(4-methoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155810732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).