(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane

C107H174N14 — CID 157498133

IUPAC(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane
SMILESC.C.C.C.C.C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC1(C)C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC12CCCCC2.C[C@H]1N(c2ccccc2)c2ccc(C(C)(C)C)cc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2cccnc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2ncccc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2nccnc2N1C(C)(C)C
InChIInChI=1S/C22H30N2.2C17H21N3.C16H20N4.C16H31N.C13H27N.6CH4/c1-16-23(18-11-9-8-10-12-18)19-14-13-17(21(2,3)4)15-20(19)24(16)22(5,6)7;1-13-19(14-9-6-5-7-10-14)16-15(11-8-12-18-16)20(13)17(2,3)4;1-13-19(14-9-6-5-7-10-14)15-11-8-12-18-16(15)20(13)17(2,3)4;1-12-19(13-8-6-5-7-9-13)14-15(18-11-10-17-14)20(12)16(2,3)4;1-13-16(10-8-7-9-11-16)12-15(5,6)17(13)14(2,3)4;1-10-12(5,6)9-13(7,8)14(10)11(2,3)4;;;;;;/h8-16H,1-7H3;2*5-13H,1-4H3;5-12H,1-4H3;13H,7-12H2,1-6H3;10H,9H2,1-8H3;6*1H4/t16-;2*13-;12-;13-;10-;;;;;;/m000000....../s1
InChIKeyBYBQNPOQCDNSBK-BDHZRVKMSA-N
MW1656.67 g/mol
LogP30.14
Rot. Bonds4

About (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane

(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane (PubChem CID 157498133) has the molecular formula C107H174N14 and a molecular weight of 1656.67 g/mol. Its IUPAC name is (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane.

Molecular Properties

Compound Name(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane
PubChem CID157498133
Molecular FormulaC107H174N14
Molecular Weight1656.67 g/mol
Exact Mass1655.40
IUPAC Name(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane
SMILESC.C.C.C.C.C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC1(C)C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC12CCCCC2.C[C@H]1N(c2ccccc2)c2ccc(C(C)(C)C)cc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2cccnc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2ncccc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2nccnc2N1C(C)(C)C
InChIInChI=1S/C22H30N2.2C17H21N3.C16H20N4.C16H31N.C13H27N.6CH4/c1-16-23(18-11-9-8-10-12-18)19-14-13-17(21(2,3)4)15-20(19)24(16)22(5,6)7;1-13-19(14-9-6-5-7-10-14)16-15(11-8-12-18-16)20(13)17(2,3)4;1-13-19(14-9-6-5-7-10-14)15-11-8-12-18-16(15)20(13)17(2,3)4;1-12-19(13-8-6-5-7-9-13)14-15(18-11-10-17-14)20(12)16(2,3)4;1-13-16(10-8-7-9-11-16)12-15(5,6)17(13)14(2,3)4;1-10-12(5,6)9-13(7,8)14(10)11(2,3)4;;;;;;/h8-16H,1-7H3;2*5-13H,1-4H3;5-12H,1-4H3;13H,7-12H2,1-6H3;10H,9H2,1-8H3;6*1H4/t16-;2*13-;12-;13-;10-;;;;;;/m000000....../s1
InChIKeyBYBQNPOQCDNSBK-BDHZRVKMSA-N
XLogP30.14
TPSA83.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.67
LogP ≤ 530.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane with MolForge

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Related Compounds

(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 155603202
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)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 176756518
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
8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
CID 162089892
2,4-dimethyl-18-phenyl-11,13,18-triazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 144714038
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 145012582
2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
CID 162296947
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
(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
methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;bis(2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine);2-methyl-3-(3-methyldibenzofuran-4-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 162269247

Frequently Asked Questions

What is the IUPAC name of (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane?
The IUPAC name of (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane (CID 157498133) is (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane.
What is the SMILES notation for (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane?
The canonical SMILES for (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane is C.C.C.C.C.C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC1(C)C.C[C@@H]1N(C(C)(C)C)C(C)(C)CC12CCCCC2.C[C@H]1N(c2ccccc2)c2ccc(C(C)(C)C)cc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2cccnc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2ncccc2N1C(C)(C)C.C[C@H]1N(c2ccccc2)c2nccnc2N1C(C)(C)C.
What is the InChIKey of (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane?
The InChIKey is BYBQNPOQCDNSBK-BDHZRVKMSA-N. The full InChI is InChI=1S/C22H30N2.2C17H21N3.C16H20N4.C16H31N.C13H27N.6CH4/c1-16-23(18-11-9-8-10-12-18)19-14-13-17(21(2,3)4)15-20(19)24(16)22(5,6)7;1-13-19(14-9-6-5-7-10-14)16-15(11-8-12-18-16)20(13)17(2,3)4;1-13-19(14-9-6-5-7-10-14)15-11-8-12-18-16(15)20(13)17(2,3)4;1-12-19(13-8-6-5-7-9-13)14-15(18-11-10-17-14)20(12)16(2,3)4;1-13-16(10-8-7-9-11-16)12-15(5,6)17(13)14(2,3)4;1-10-12(5,6)9-13(7,8)14(10)11(2,3)4;;;;;;/h8-16H,1-7H3;2*5-13H,1-4H3;5-12H,1-4H3;13H,7-12H2,1-6H3;10H,9H2,1-8H3;6*1H4/t16-;2*13-;12-;13-;10-;;;;;;/m000000....../s1.
What are the key properties of (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane?
(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane has a molecular weight of 1656.67 g/mol, XLogP of 30.14, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-1-tert-butyl-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine;(5S)-1-tert-butyl-2,2,4,4,5-pentamethylpyrrolidine;(1S)-2-tert-butyl-1,3,3-trimethyl-2-azaspiro[4.5]decane;(2R)-3,5-ditert-butyl-2-methyl-1-phenyl-2H-benzimidazole;methane is sourced from PubChem (CID 157498133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).