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

C28H23N5 — CID 155809518

IUPAC8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine
SMILESCCc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C28H23N5/c1-2-20-8-10-22(11-9-20)25-18-32-15-14-29-28(32)27(31-25)23-12-13-24-26(16-23)33(19-30-24)17-21-6-4-3-5-7-21/h3-16,18-19H,2,17H2,1H3
InChIKeyCIEGEGLMCOXHLQ-UHFFFAOYSA-N
MW429.53 g/mol
LogP6.02
Rot. Bonds5

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

8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 155809518) has the molecular formula C28H23N5 and a molecular weight of 429.53 g/mol. Its IUPAC name is 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine
PubChem CID155809518
Molecular FormulaC28H23N5
Molecular Weight429.53 g/mol
Exact Mass429.20
IUPAC Name8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine
SMILESCCc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C28H23N5/c1-2-20-8-10-22(11-9-20)25-18-32-15-14-29-28(32)27(31-25)23-12-13-24-26(16-23)33(19-30-24)17-21-6-4-3-5-7-21/h3-16,18-19H,2,17H2,1H3
InChIKeyCIEGEGLMCOXHLQ-UHFFFAOYSA-N
XLogP6.02
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 56.02
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-(4-ethylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine (CID 155809518) is 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine is CCc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is CIEGEGLMCOXHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5/c1-2-20-8-10-22(11-9-20)25-18-32-15-14-29-28(32)27(31-25)23-12-13-24-26(16-23)33(19-30-24)17-21-6-4-3-5-7-21/h3-16,18-19H,2,17H2,1H3.
What are the key properties of 8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine?
8-(3-benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 429.53 g/mol, XLogP of 6.02, 5 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-(4-ethylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155809518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).