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

C29H25N5 — CID 155806243

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
SMILESc1ccc2c(-c3cn4ccnc4c(-c4ccc5ncn(C6CCCCC6)c5c4)n3)cccc2c1
InChIInChI=1S/C29H25N5/c1-2-9-22(10-3-1)34-19-31-25-14-13-21(17-27(25)34)28-29-30-15-16-33(29)18-26(32-28)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-19,22H,1-3,9-10H2
InChIKeyWNKYWSBQXDLKKE-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.07
Rot. Bonds3

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

8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine (PubChem CID 155806243) has the molecular formula C29H25N5 and a molecular weight of 443.55 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
PubChem CID155806243
Molecular FormulaC29H25N5
Molecular Weight443.55 g/mol
Exact Mass443.21
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
SMILESc1ccc2c(-c3cn4ccnc4c(-c4ccc5ncn(C6CCCCC6)c5c4)n3)cccc2c1
InChIInChI=1S/C29H25N5/c1-2-9-22(10-3-1)34-19-31-25-14-13-21(17-27(25)34)28-29-30-15-16-33(29)18-26(32-28)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-19,22H,1-3,9-10H2
InChIKeyWNKYWSBQXDLKKE-UHFFFAOYSA-N
XLogP7.07
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.07
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-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine (CID 155806243) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine is c1ccc2c(-c3cn4ccnc4c(-c4ccc5ncn(C6CCCCC6)c5c4)n3)cccc2c1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The InChIKey is WNKYWSBQXDLKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5/c1-2-9-22(10-3-1)34-19-31-25-14-13-21(17-27(25)34)28-29-30-15-16-33(29)18-26(32-28)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-19,22H,1-3,9-10H2.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine has a molecular weight of 443.55 g/mol, XLogP of 7.07, 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-naphthalen-1-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155806243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).