2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine

C25H26BrN3 — CID 139269920

IUPAC2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCc1nccc2nc(Br)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12
InChIInChI=1S/C25H26BrN3/c1-15(2)20-13-19(18-9-7-6-8-10-18)14-21(16(3)4)24(20)29-23-17(5)27-12-11-22(23)28-25(29)26/h6-16H,1-5H3
InChIKeyHYGZIQHINVEMAI-UHFFFAOYSA-N
MW448.41 g/mol
LogP7.41
Rot. Bonds4

About 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine

2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine (PubChem CID 139269920) has the molecular formula C25H26BrN3 and a molecular weight of 448.41 g/mol. Its IUPAC name is 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
PubChem CID139269920
Molecular FormulaC25H26BrN3
Molecular Weight448.41 g/mol
Exact Mass447.13
IUPAC Name2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCc1nccc2nc(Br)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12
InChIInChI=1S/C25H26BrN3/c1-15(2)20-13-19(18-9-7-6-8-10-18)14-21(16(3)4)24(20)29-23-17(5)27-12-11-22(23)28-25(29)26/h6-16H,1-5H3
InChIKeyHYGZIQHINVEMAI-UHFFFAOYSA-N
XLogP7.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.41
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2,5-bis(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 156668544
2,5-dimethyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166498770
2-methyl-5-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668369
1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156669552
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;5-[4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2-(trideuteriomethyl)-6H-[1]benzofuro[2,3-b]pyridin-6-ide
CID 176644269
2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657889
2-dibenzofuran-2-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 156658880
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
2-dibenzofuran-2-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657325
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine (CID 139269920) is 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine is Cc1nccc2nc(Br)n(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c12.
What is the InChIKey of 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is HYGZIQHINVEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3/c1-15(2)20-13-19(18-9-7-6-8-10-18)14-21(16(3)4)24(20)29-23-17(5)27-12-11-22(23)28-25(29)26/h6-16H,1-5H3.
What are the key properties of 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine?
2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 448.41 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 139269920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).