(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine

C196H269ClF4N38O6S2 — CID 157380217

IUPAC(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(C2CC2)n1.CC(C)(C)c1csc2cc(Cl)cnc12.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1nnc2c(C(C)(C)C)cncc21
InChIInChI=1S/C12H16N2O.C11H12ClNS.C11H15N3.3C11H14N2.C10H12F3N.C10H14N4.2C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C8H12N2O.2C8H12N2/c1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7/h4-6,15H,7H2,1-3H3,(H,13,14);4-6H,1-3H3;5-6H,1-4H3,(H,13,14);4-8H,1-3H3;4-7,13H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3,(H,12,13);6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3
InChIKeyBKUGTRDXPFTPNJ-UHFFFAOYSA-N
MW3429.15 g/mol
LogP46.75
Rot. Bonds3

About (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine

(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 157380217) has the molecular formula C196H269ClF4N38O6S2 and a molecular weight of 3429.15 g/mol. Its IUPAC name is (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID157380217
Molecular FormulaC196H269ClF4N38O6S2
Molecular Weight3429.15 g/mol
Exact Mass3426.10
IUPAC Name(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(C2CC2)n1.CC(C)(C)c1csc2cc(Cl)cnc12.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1nnc2c(C(C)(C)C)cncc21
InChIInChI=1S/C12H16N2O.C11H12ClNS.C11H15N3.3C11H14N2.C10H12F3N.C10H14N4.2C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C8H12N2O.2C8H12N2/c1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7/h4-6,15H,7H2,1-3H3,(H,13,14);4-6H,1-3H3;5-6H,1-4H3,(H,13,14);4-8H,1-3H3;4-7,13H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3,(H,12,13);6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3
InChIKeyBKUGTRDXPFTPNJ-UHFFFAOYSA-N
XLogP46.75
TPSA591.95 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds3
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.15
LogP ≤ 546.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-3-tert-butyl-2-methylpyrazine;3-tert-butyl-N-cyclopropylpyrazin-2-amine;3-tert-butyl-2,5-dimethylpyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;3-tert-butylpyrazine-2-carboxamide;4-tert-butyl-1H-pyrazol-5-amine;6-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 161126539
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 162201402
5-bromo-3-tert-butylpyrazin-2-amine;2-tert-butyl-3-chloropyrazine;2-tert-butyl-3-(cyclopropylmethyl)pyrazine;3-tert-butylimidazo[1,2-b]pyridazin-2-amine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-N-methylpyrazin-2-amine;2-tert-butyl-3-methylpyrazine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;1-(3-tert-butylpyrazin-2-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;2-tert-butylpyridin-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-4-amine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 160609797
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
CID 167635378
5-bromo-2-tert-butylpyrimidine;1-tert-butyl-3-chloro-2-methylbenzene;2-tert-butyl-5-chloropyrimidine;2-tert-butyl-6-methyl-1,3-benzothiazole;2-tert-butyl-4-methylpyrimidine;3-tert-butylphenol;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-4-(trifluoromethyl)pyrimidine
CID 160533524
2-tert-butyl-1-methyl-4H-imidazol-1-ium;3-tert-butyl-1-methylindazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 157247042
1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;2-tert-butyl-6-chloro-1,3-benzothiazole;2-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1H-imidazole;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-3-(trifluoromethyl)benzene;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-5-(2-methylpropyl)thiophene;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;N-(6-tert-butyl-3-pyridinyl)propanamide;3-tert-butyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;2-tert-butyl-1,3-thiazole;4-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthiophene;1-(5-tert-butylthiophen-2-yl)ethanone;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;carbon dioxide;3,3-dimethylbutanenitrile
CID 176516753
3-tert-butyl-4-methylpyridine;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;2,6-dichloro-3-methylphenol;2,4-difluoro-1-methylbenzene;1,3-dimethoxy-5-methylbenzene;2,6-dimethoxy-4-methylpyridine;2,3-dimethylfuran;1,4-dimethylpiperidine;1-ethoxy-4-methylbenzene;5-ethoxy-2-methylpyridine;1-fluoro-4-methylbenzene;6-hydroxy-4-methyl-1H-pyridin-2-one;1-methoxy-4-methylbenzene;5-methylbenzene-1,3-diol;2-methyl-5-methylsulfonylpyridine;4-methylmorpholine;2-methylphenol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;1-methylpiperidine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-sulfonamide;4-methyl-1H-pyridin-2-one;1-methylpyrrolidine;2-methylthiophene;toluene
CID 159459189
2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane
CID 159923695
3-tert-butyl-1-benzothiophene;4-tert-butyl-2,1,3-benzoxadiazole;tert-butylcyclopropane;4-tert-butylisoquinoline;4-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-4H-pyrazole;2-tert-butylpyridine;5-propan-2-ylisoquinoline
CID 159088174
3-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;2-tert-butyl-4-chloro-1-methoxybenzene;4-tert-butyl-2-chloropyridine;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-5-fluoro-3-methoxy-6-prop-1-en-2-ylpyridine;2-tert-butyl-5-fluoropyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-1-(2-methylpropyl)pyrrole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;1-(2-tert-butyl-1,3-thiazol-5-yl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-3-propan-2-ylthiophene;2-propan-2-yl-1-benzothiophene
CID 159068905
2-tert-butyl-1-methyl-4H-imidazol-1-ium;3-tert-butyl-1-methylindazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 162079361

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 157380217) is (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(C2CC2)n1.CC(C)(C)c1csc2cc(Cl)cnc12.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1nnc2c(C(C)(C)C)cncc21.
What is the InChIKey of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is BKUGTRDXPFTPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C11H12ClNS.C11H15N3.3C11H14N2.C10H12F3N.C10H14N4.2C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C8H12N2O.2C8H12N2/c1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7/h4-6,15H,7H2,1-3H3,(H,13,14);4-6H,1-3H3;5-6H,1-4H3,(H,13,14);4-8H,1-3H3;4-7,13H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3,(H,12,13);6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3.
What are the key properties of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine?
(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 3429.15 g/mol, XLogP of 46.75, 3 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 157380217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).