2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine

C35H30N4O — CID 164825026

IUPAC2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2nccnc21
InChIInChI=1S/C35H30N4O/c1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)31(28)39-34(38-33-35(39)37-18-17-36-33)27-15-10-14-26-25-13-8-9-16-30(25)40-32(26)27/h5-22H,1-4H3
InChIKeyBSYCZBKJCCUCQZ-UHFFFAOYSA-N
MW522.65 g/mol
LogP9.30
Rot. Bonds5

About 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine

2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine (PubChem CID 164825026) has the molecular formula C35H30N4O and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
PubChem CID164825026
Molecular FormulaC35H30N4O
Molecular Weight522.65 g/mol
Exact Mass522.24
IUPAC Name2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2nccnc21
InChIInChI=1S/C35H30N4O/c1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)31(28)39-34(38-33-35(39)37-18-17-36-33)27-15-10-14-26-25-13-8-9-16-30(25)40-32(26)27/h5-22H,1-4H3
InChIKeyBSYCZBKJCCUCQZ-UHFFFAOYSA-N
XLogP9.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
CID 164824560
5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
CID 164825917
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
15-dibenzofuran-4-yl-8-methyl-5-phenyl-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 167249512
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
6-tert-butyl-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624322
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
CID 164825397
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-h]quinazoline
CID 176817297

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine (CID 164825026) is 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2nccnc21.
What is the InChIKey of 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The InChIKey is BSYCZBKJCCUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O/c1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)31(28)39-34(38-33-35(39)37-18-17-36-33)27-15-10-14-26-25-13-8-9-16-30(25)40-32(26)27/h5-22H,1-4H3.
What are the key properties of 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine?
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine has a molecular weight of 522.65 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 164825026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).