2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine

C34H47N3 — CID 171439146

IUPAC2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine
SMILESCC(C)c1cccc(C(C)C)c1N1c2cccnc2N(c2c(C(C)C)cccc2C(C)C)C1C(C)(C)C
InChIInChI=1S/C34H47N3/c1-21(2)25-15-12-16-26(22(3)4)30(25)36-29-19-14-20-35-32(29)37(33(36)34(9,10)11)31-27(23(5)6)17-13-18-28(31)24(7)8/h12-24,33H,1-11H3
InChIKeyXPNLGBCXQFNHRU-UHFFFAOYSA-N
MW497.77 g/mol
LogP10.24
Rot. Bonds6

About 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine

2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine (PubChem CID 171439146) has the molecular formula C34H47N3 and a molecular weight of 497.77 g/mol. Its IUPAC name is 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine
PubChem CID171439146
Molecular FormulaC34H47N3
Molecular Weight497.77 g/mol
Exact Mass497.38
IUPAC Name2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine
SMILESCC(C)c1cccc(C(C)C)c1N1c2cccnc2N(c2c(C(C)C)cccc2C(C)C)C1C(C)(C)C
InChIInChI=1S/C34H47N3/c1-21(2)25-15-12-16-26(22(3)4)30(25)36-29-19-14-20-35-32(29)37(33(36)34(9,10)11)31-27(23(5)6)17-13-18-28(31)24(7)8/h12-24,33H,1-11H3
InChIKeyXPNLGBCXQFNHRU-UHFFFAOYSA-N
XLogP10.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
CID 158967293
CID 158967293
8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;8-[3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296556
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
2-iodo-3-propan-2-ylpyridine
CID 23436890
2-bromo-3-propan-2-ylpyridine
CID 23436869
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 176756518
2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10448241
(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 114056368

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine (CID 171439146) is 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine is CC(C)c1cccc(C(C)C)c1N1c2cccnc2N(c2c(C(C)C)cccc2C(C)C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine?
The InChIKey is XPNLGBCXQFNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N3/c1-21(2)25-15-12-16-26(22(3)4)30(25)36-29-19-14-20-35-32(29)37(33(36)34(9,10)11)31-27(23(5)6)17-13-18-28(31)24(7)8/h12-24,33H,1-11H3.
What are the key properties of 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine?
2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine has a molecular weight of 497.77 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 171439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).