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

C30H21N5 — CID 155815738

IUPAC8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
SMILESc1ccc(Cn2cnc3ccc(-c4nc(-c5cccc6ccccc56)cn5ccnc45)cc32)cc1
InChIInChI=1S/C30H21N5/c1-2-7-21(8-3-1)18-35-20-32-26-14-13-23(17-28(26)35)29-30-31-15-16-34(30)19-27(33-29)25-12-6-10-22-9-4-5-11-24(22)25/h1-17,19-20H,18H2
InChIKeyIJHOPADIUYEXIR-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.61
Rot. Bonds4

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

8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine (PubChem CID 155815738) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
PubChem CID155815738
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
SMILESc1ccc(Cn2cnc3ccc(-c4nc(-c5cccc6ccccc56)cn5ccnc45)cc32)cc1
InChIInChI=1S/C30H21N5/c1-2-7-21(8-3-1)18-35-20-32-26-14-13-23(17-28(26)35)29-30-31-15-16-34(30)19-27(33-29)25-12-6-10-22-9-4-5-11-24(22)25/h1-17,19-20H,18H2
InChIKeyIJHOPADIUYEXIR-UHFFFAOYSA-N
XLogP6.61
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine (CID 155815738) is 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine is c1ccc(Cn2cnc3ccc(-c4nc(-c5cccc6ccccc56)cn5ccnc45)cc32)cc1.
What is the InChIKey of 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
The InChIKey is IJHOPADIUYEXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-2-7-21(8-3-1)18-35-20-32-26-14-13-23(17-28(26)35)29-30-31-15-16-34(30)19-27(33-29)25-12-6-10-22-9-4-5-11-24(22)25/h1-17,19-20H,18H2.
What are the key properties of 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine?
8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine has a molecular weight of 451.53 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155815738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).