1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine

C30H32N4 — CID 140724071

IUPAC1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCCc1ccc(N2CN(c3ccc(CC)c(-c4ccccc4C(C)C)c3)c3nccnc32)cc1
InChIInChI=1S/C30H32N4/c1-5-22-11-14-24(15-12-22)33-20-34(30-29(33)31-17-18-32-30)25-16-13-23(6-2)28(19-25)27-10-8-7-9-26(27)21(3)4/h7-19,21H,5-6,20H2,1-4H3
InChIKeyHFTRWBKBASNVEA-UHFFFAOYSA-N
MW448.61 g/mol
LogP7.64
Rot. Bonds6

About 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine

1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine (PubChem CID 140724071) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine
PubChem CID140724071
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCCc1ccc(N2CN(c3ccc(CC)c(-c4ccccc4C(C)C)c3)c3nccnc32)cc1
InChIInChI=1S/C30H32N4/c1-5-22-11-14-24(15-12-22)33-20-34(30-29(33)31-17-18-32-30)25-16-13-23(6-2)28(19-25)27-10-8-7-9-26(27)21(3)4/h7-19,21H,5-6,20H2,1-4H3
InChIKeyHFTRWBKBASNVEA-UHFFFAOYSA-N
XLogP7.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine (CID 140724071) is 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine is CCc1ccc(N2CN(c3ccc(CC)c(-c4ccccc4C(C)C)c3)c3nccnc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine?
The InChIKey is HFTRWBKBASNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c1-5-22-11-14-24(15-12-22)33-20-34(30-29(33)31-17-18-32-30)25-16-13-23(6-2)28(19-25)27-10-8-7-9-26(27)21(3)4/h7-19,21H,5-6,20H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine?
1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine has a molecular weight of 448.61 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[4-ethyl-3-(2-propan-2-ylphenyl)phenyl]-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 140724071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).