3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine

C28H27N3 — CID 140794417

IUPAC3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(N2CN(c3ccccc3-c3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C28H27N3/c1-28(2,3)22-15-17-23(18-16-22)30-20-31(26-14-9-19-29-27(26)30)25-13-8-7-12-24(25)21-10-5-4-6-11-21/h4-19H,20H2,1-3H3
InChIKeyBDBZFGZHRRWBCQ-UHFFFAOYSA-N
MW405.55 g/mol
LogP7.29
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine

3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine (PubChem CID 140794417) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine
PubChem CID140794417
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(N2CN(c3ccccc3-c3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C28H27N3/c1-28(2,3)22-15-17-23(18-16-22)30-20-31(26-14-9-19-29-27(26)30)25-13-8-7-12-24(25)21-10-5-4-6-11-21/h4-19H,20H2,1-3H3
InChIKeyBDBZFGZHRRWBCQ-UHFFFAOYSA-N
XLogP7.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
1,3-bis(4-fluorophenyl)-2H-imidazo[4,5-b]pyridine
CID 140596008
5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
CID 166052792
(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 176756518
1,3-bis(1-benzofuran-5-yl)-2H-imidazo[4,5-b]pyridine
CID 140743680
13-tert-butyl-8-(2-methylphenyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),12,14-hexaene;14-tert-butyl-8-(2-phenylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene;14-tert-butyl-8-(2-phenylphenyl)-1,6,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),12,14-hexaene
CID 165079074
1-(2,6-diphenylphenyl)-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731594
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine
CID 168840596

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine (CID 140794417) is 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine is CC(C)(C)c1ccc(N2CN(c3ccccc3-c3ccccc3)c3cccnc32)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine?
The InChIKey is BDBZFGZHRRWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-28(2,3)22-15-17-23(18-16-22)30-20-31(26-14-9-19-29-27(26)30)25-13-8-7-12-24(25)21-10-5-4-6-11-21/h4-19H,20H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine?
3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine has a molecular weight of 405.55 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 140794417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).