5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene

C97H153N13O12S2 — CID 161232783

IUPAC5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccc[nH]1.CC(C)OCc1cccn1CCO.CC(C)OCc1cccs1.CC(C)OCc1cncn1CCOCc1ccccc1.CCc1ccc(COC(C)C)cn1.Cc1ncc(COC(C)C)[nH]1.Cc1ncc(COC(C)C)cn1.Cc1ncc(COC(C)C)n1C.Cc1ncc(COC(C)C)s1.[2H]C([2H])(OC(C)C)c1ccc(C)nc1
InChIInChI=1S/C16H22N2O2.C11H17NO.C10H17NO2.C10H15NO.C9H16N2O.C9H14N2O.C8H14N2O.C8H13NOS.C8H13NO.C8H12OS/c1-14(2)20-12-16-10-17-13-18(16)8-9-19-11-15-6-4-3-5-7-15;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)13-8-10-4-3-5-11(10)6-7-12;1-8(2)12-7-10-5-4-9(3)11-6-10;1-7(2)12-6-9-5-10-8(3)11(9)4;1-7(2)12-6-9-4-10-8(3)11-5-9;1-6(2)11-5-8-4-9-7(3)10-8;1-6(2)10-5-8-4-9-7(3)11-8;1-7(2)10-6-8-4-3-5-9-8;1-7(2)9-6-8-4-3-5-10-8/h3-7,10,13-14H,8-9,11-12H2,1-2H3;5-7,9H,4,8H2,1-3H3;3-5,9,12H,6-8H2,1-2H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;4-5,7H,6H2,1-3H3;4,6H,5H2,1-3H3,(H,9,10);4,6H,5H2,1-3H3;3-5,7,9H,6H2,1-2H3;3-5,7H,6H2,1-2H3/i;;;7D2;;;;;;
InChIKeyUYZAFIZHDSMPAP-DLYAXQEISA-N
MW1759.52 g/mol
LogP21.31
Rot. Bonds38

About 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene

5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene (PubChem CID 161232783) has the molecular formula C97H153N13O12S2 and a molecular weight of 1759.52 g/mol. Its IUPAC name is 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene.

Molecular Properties

Compound Name5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene
PubChem CID161232783
Molecular FormulaC97H153N13O12S2
Molecular Weight1759.52 g/mol
Exact Mass1758.13
IUPAC Name5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccc[nH]1.CC(C)OCc1cccn1CCO.CC(C)OCc1cccs1.CC(C)OCc1cncn1CCOCc1ccccc1.CCc1ccc(COC(C)C)cn1.Cc1ncc(COC(C)C)[nH]1.Cc1ncc(COC(C)C)cn1.Cc1ncc(COC(C)C)n1C.Cc1ncc(COC(C)C)s1.[2H]C([2H])(OC(C)C)c1ccc(C)nc1
InChIInChI=1S/C16H22N2O2.C11H17NO.C10H17NO2.C10H15NO.C9H16N2O.C9H14N2O.C8H14N2O.C8H13NOS.C8H13NO.C8H12OS/c1-14(2)20-12-16-10-17-13-18(16)8-9-19-11-15-6-4-3-5-7-15;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)13-8-10-4-3-5-11(10)6-7-12;1-8(2)12-7-10-5-4-9(3)11-6-10;1-7(2)12-6-9-5-10-8(3)11(9)4;1-7(2)12-6-9-4-10-8(3)11-5-9;1-6(2)11-5-8-4-9-7(3)10-8;1-6(2)10-5-8-4-9-7(3)11-8;1-7(2)10-6-8-4-3-5-9-8;1-7(2)9-6-8-4-3-5-10-8/h3-7,10,13-14H,8-9,11-12H2,1-2H3;5-7,9H,4,8H2,1-3H3;3-5,9,12H,6-8H2,1-2H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;4-5,7H,6H2,1-3H3;4,6H,5H2,1-3H3,(H,9,10);4,6H,5H2,1-3H3;3-5,7,9H,6H2,1-2H3;3-5,7H,6H2,1-2H3/i;;;7D2;;;;;;
InChIKeyUYZAFIZHDSMPAP-DLYAXQEISA-N
XLogP21.31
TPSA271.25 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.52
LogP ≤ 521.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene with MolForge

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Related Compounds

3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141221813
2-[3-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-phenyl-2-(4-pyrazin-2-yl-3-pyrimidin-2-yl-1H-pyrrol-2-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)oxolan-2-yl]-1,3-thiazole
CID 141442675
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole;5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-pyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole
CID 157219649
5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1H-imidazole;4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-5-methyl-1H-imidazole;5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1-methylimidazole;5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-2-methyl-1H-imidazole;3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-5-methyl-1H-pyrazole;5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1-methylpyrazole;5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1H-pyrazole;4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1,3-thiazole
CID 157473520
bis(5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole);5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole
CID 158258365
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole;5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-4-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-pyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole
CID 158775591
5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole
CID 159406097
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole;5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-pyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole;methane
CID 159718192
5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[5-(propan-2-yloxymethyl)imidazol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole
CID 161909176
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole;5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;4-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-5-methyl-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-pyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole
CID 163433898
2-(2-Imidazol-1-ylethoxy)-5-pyridin-2-ylpyrimidine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-(2-piperidin-1-ylethoxy)-5-pyridin-2-ylpyrimidine;5-pyridin-2-yl-2-(1-pyridin-2-ylethoxy)pyrimidine;5-pyridin-2-yl-2-(pyridin-2-ylmethoxy)pyrimidine;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]benzimidazole;2-[(5-pyridin-2-ylpyrimidin-2-yl)oxymethyl]-1,3-thiazole;5-pyridin-2-yl-2-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 164981518
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-imidazole;5-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1H-imidazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methyl-1H-imidazole;3-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-5-methyl-1H-pyrazole;bis(5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylpyrazole);5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-4-methyl-1H-pyrazole;5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1H-pyrazole;4-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,3-thiazole
CID 167622115

Frequently Asked Questions

What is the IUPAC name of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene?
The IUPAC name of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene (CID 161232783) is 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene.
What is the SMILES notation for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene?
The canonical SMILES for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene is CC(C)OCc1ccc[nH]1.CC(C)OCc1cccn1CCO.CC(C)OCc1cccs1.CC(C)OCc1cncn1CCOCc1ccccc1.CCc1ccc(COC(C)C)cn1.Cc1ncc(COC(C)C)[nH]1.Cc1ncc(COC(C)C)cn1.Cc1ncc(COC(C)C)n1C.Cc1ncc(COC(C)C)s1.[2H]C([2H])(OC(C)C)c1ccc(C)nc1.
What is the InChIKey of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene?
The InChIKey is UYZAFIZHDSMPAP-DLYAXQEISA-N. The full InChI is InChI=1S/C16H22N2O2.C11H17NO.C10H17NO2.C10H15NO.C9H16N2O.C9H14N2O.C8H14N2O.C8H13NOS.C8H13NO.C8H12OS/c1-14(2)20-12-16-10-17-13-18(16)8-9-19-11-15-6-4-3-5-7-15;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)13-8-10-4-3-5-11(10)6-7-12;1-8(2)12-7-10-5-4-9(3)11-6-10;1-7(2)12-6-9-5-10-8(3)11(9)4;1-7(2)12-6-9-4-10-8(3)11-5-9;1-6(2)11-5-8-4-9-7(3)10-8;1-6(2)10-5-8-4-9-7(3)11-8;1-7(2)10-6-8-4-3-5-9-8;1-7(2)9-6-8-4-3-5-10-8/h3-7,10,13-14H,8-9,11-12H2,1-2H3;5-7,9H,4,8H2,1-3H3;3-5,9,12H,6-8H2,1-2H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;4-5,7H,6H2,1-3H3;4,6H,5H2,1-3H3,(H,9,10);4,6H,5H2,1-3H3;3-5,7,9H,6H2,1-2H3;3-5,7H,6H2,1-2H3/i;;;7D2;;;;;;.
What are the key properties of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene?
5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene has a molecular weight of 1759.52 g/mol, XLogP of 21.31, 38 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene is sourced from PubChem (CID 161232783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).