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

C24H27N3 — CID 176756518

IUPAC(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
SMILESCc1ccccc1N1c2ncccc2N(c2ccc(C(C)(C)C)cc2)[C@@H]1C
InChIInChI=1S/C24H27N3/c1-17-9-6-7-10-21(17)27-18(2)26(22-11-8-16-25-23(22)27)20-14-12-19(13-15-20)24(3,4)5/h6-16,18H,1-5H3/t18-/m0/s1
InChIKeyPTNGOLTVCDWDPM-SFHVURJKSA-N
MW357.50 g/mol
LogP6.32
Rot. Bonds2

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

(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine (PubChem CID 176756518) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
PubChem CID176756518
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
SMILESCc1ccccc1N1c2ncccc2N(c2ccc(C(C)(C)C)cc2)[C@@H]1C
InChIInChI=1S/C24H27N3/c1-17-9-6-7-10-21(17)27-18(2)26(22-11-8-16-25-23(22)27)20-14-12-19(13-15-20)24(3,4)5/h6-16,18H,1-5H3/t18-/m0/s1
InChIKeyPTNGOLTVCDWDPM-SFHVURJKSA-N
XLogP6.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 162296591
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-3-amine
CID 155394624
(2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
CID 166990796
3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 121403727
1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162296637
2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-g]quinoline
CID 130318823
4-tert-butyl-8-ethenyl-8,9,9-trimethyl-11-(2-methylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,12(17),13,15-hexaene
CID 129304962
chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 145012582
2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine
CID 139494486
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?
The IUPAC name of (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine (CID 176756518) is (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine is Cc1ccccc1N1c2ncccc2N(c2ccc(C(C)(C)C)cc2)[C@@H]1C.
What is the InChIKey of (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?
The InChIKey is PTNGOLTVCDWDPM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3/c1-17-9-6-7-10-21(17)27-18(2)26(22-11-8-16-25-23(22)27)20-14-12-19(13-15-20)24(3,4)5/h6-16,18H,1-5H3/t18-/m0/s1.
What are the key properties of (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?
(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine has a molecular weight of 357.50 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 176756518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).