2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

C212H302Cl5F3N16O8S4 — CID 158196617

IUPAC2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)(C)/C=C/c1ccc(Cl)cc1.CC(C)(C)/C=C/c1ccc(Cl)s1.CC(C)(C)/C=C/c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)/C=C/c1cccnc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)CCCNC(=O)c1ccc(Cl)cc1.CC(C)(C)CCCNC(=O)c1ccccc1.CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ncccn1.CC(C)/C=C/c1ccccc1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1ccc(Cl)[nH]1.COc1ccc(/C=C/C(C)(C)C)cc1.COc1ccc(C(=O)NCCCC(C)(C)C)cc1.COc1ccc(C(C)C)s1.Cc1ccc(C(C)C)[nH]1
InChIInChI=1S/C15H23NO2.C14H20ClNO.C14H21NO.C13H19NO2S.C13H18O.C12H15Cl.3C11H15N.C11H14.C10H13ClS.3C10H15N.C9H13ClS.C8H12N2.C8H13N.C8H12OS.C7H10ClN.C7H9F3N2/c1-15(2,3)10-5-11-16-14(17)12-6-8-13(18-4)9-7-12;1-14(2,3)9-4-10-16-13(17)11-5-7-12(15)8-6-11;1-14(2,3)10-7-11-15-13(16)12-8-5-4-6-9-12;1-13(2,3)10-9-11-5-7-12(8-6-11)14-17(4,15)16;1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)7-6-10-5-4-8-12-9-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2,3)7-6-8-4-5-9(11)12-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-8(9-3)10-7;1-5(2)6-3-4-7(8)9-6;1-4(2)5-6(7(8,9)10)12-3-11-5/h6-9H,5,10-11H2,1-4H3,(H,16,17);5-8H,4,9-10H2,1-3H3,(H,16,17);4-6,8-9H,7,10-11H2,1-3H3,(H,15,16);5-10,14H,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3*4-9H,1-3H3;3-10H,1-2H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-5,9H,1-2H3;3-4H,1-2H3,(H,11,12)/b;;;2*10-9+;9-8+;7-4+;7-6+;8-7+;9-8+;7-6+;;;;;;;;;
InChIKeyGAKLZWFBDREPGO-AIAFJGIXSA-N
MW3565.38 g/mol
LogP63.35
Rot. Bonds34

About 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 158196617) has the molecular formula C212H302Cl5F3N16O8S4 and a molecular weight of 3565.38 g/mol. Its IUPAC name is 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
PubChem CID158196617
Molecular FormulaC212H302Cl5F3N16O8S4
Molecular Weight3565.38 g/mol
Exact Mass3560.10
IUPAC Name2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)(C)/C=C/c1ccc(Cl)cc1.CC(C)(C)/C=C/c1ccc(Cl)s1.CC(C)(C)/C=C/c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)/C=C/c1cccnc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)CCCNC(=O)c1ccc(Cl)cc1.CC(C)(C)CCCNC(=O)c1ccccc1.CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ncccn1.CC(C)/C=C/c1ccccc1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1ccc(Cl)[nH]1.COc1ccc(/C=C/C(C)(C)C)cc1.COc1ccc(C(=O)NCCCC(C)(C)C)cc1.COc1ccc(C(C)C)s1.Cc1ccc(C(C)C)[nH]1
InChIInChI=1S/C15H23NO2.C14H20ClNO.C14H21NO.C13H19NO2S.C13H18O.C12H15Cl.3C11H15N.C11H14.C10H13ClS.3C10H15N.C9H13ClS.C8H12N2.C8H13N.C8H12OS.C7H10ClN.C7H9F3N2/c1-15(2,3)10-5-11-16-14(17)12-6-8-13(18-4)9-7-12;1-14(2,3)9-4-10-16-13(17)11-5-7-12(15)8-6-11;1-14(2,3)10-7-11-15-13(16)12-8-5-4-6-9-12;1-13(2,3)10-9-11-5-7-12(8-6-11)14-17(4,15)16;1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)7-6-10-5-4-8-12-9-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2,3)7-6-8-4-5-9(11)12-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-8(9-3)10-7;1-5(2)6-3-4-7(8)9-6;1-4(2)5-6(7(8,9)10)12-3-11-5/h6-9H,5,10-11H2,1-4H3,(H,16,17);5-8H,4,9-10H2,1-3H3,(H,16,17);4-6,8-9H,7,10-11H2,1-3H3,(H,15,16);5-10,14H,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3*4-9H,1-3H3;3-10H,1-2H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-5,9H,1-2H3;3-4H,1-2H3,(H,11,12)/b;;;2*10-9+;9-8+;7-4+;7-6+;8-7+;9-8+;7-6+;;;;;;;;;
InChIKeyGAKLZWFBDREPGO-AIAFJGIXSA-N
XLogP63.35
TPSA324.54 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003565.38
LogP ≤ 563.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(6-Chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea
CID 158224132
N-[4-[5-(5-chloro-2-methoxy-3-pyridinyl)-2-methylthiophen-3-yl]phenyl]-2,6-difluorobenzamide;N-[4-[5-(4-chloro-3-pyridinyl)-2-methylthiophen-3-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[4-[2-methyl-5-(4-methyl-3-pyridinyl)thiophen-3-yl]phenyl]benzamide);2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 158633930
N-[4-[5-(5-chloro-2-methoxy-3-pyridinyl)-2-methylthiophen-3-yl]phenyl]-2,6-difluorobenzamide;N-[4-[5-(4-chloro-3-pyridinyl)-2-methylthiophen-3-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[4-[5-(4-methoxy-3-pyridinyl)-2-methylthiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(4-methyl-3-pyridinyl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 159105016
2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-4-propan-2-yl-3H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-methoxy-2-propan-2-yl-1,3-thiazole;[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;5-methyl-4-propan-2-yl-3H-pyrrole
CID 159459899
1-[6-(6-Chloro-1-oxoisoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1-oxoisoquinolin-2-yl)-3-pyridinyl]urea
CID 159876568
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 160398019

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (CID 158196617) is 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is CC(C)(C)/C=C/c1ccc(Cl)cc1.CC(C)(C)/C=C/c1ccc(Cl)s1.CC(C)(C)/C=C/c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)/C=C/c1cccnc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)CCCNC(=O)c1ccc(Cl)cc1.CC(C)(C)CCCNC(=O)c1ccccc1.CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ncccn1.CC(C)/C=C/c1ccccc1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1ccc(Cl)[nH]1.COc1ccc(/C=C/C(C)(C)C)cc1.COc1ccc(C(=O)NCCCC(C)(C)C)cc1.COc1ccc(C(C)C)s1.Cc1ccc(C(C)C)[nH]1.
What is the InChIKey of 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is GAKLZWFBDREPGO-AIAFJGIXSA-N. The full InChI is InChI=1S/C15H23NO2.C14H20ClNO.C14H21NO.C13H19NO2S.C13H18O.C12H15Cl.3C11H15N.C11H14.C10H13ClS.3C10H15N.C9H13ClS.C8H12N2.C8H13N.C8H12OS.C7H10ClN.C7H9F3N2/c1-15(2,3)10-5-11-16-14(17)12-6-8-13(18-4)9-7-12;1-14(2,3)9-4-10-16-13(17)11-5-7-12(15)8-6-11;1-14(2,3)10-7-11-15-13(16)12-8-5-4-6-9-12;1-13(2,3)10-9-11-5-7-12(8-6-11)14-17(4,15)16;1-13(2,3)10-9-11-5-7-12(14-4)8-6-11;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)7-6-10-5-4-8-12-9-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2,3)7-6-8-4-5-9(11)12-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-8(9-3)10-7;1-5(2)6-3-4-7(8)9-6;1-4(2)5-6(7(8,9)10)12-3-11-5/h6-9H,5,10-11H2,1-4H3,(H,16,17);5-8H,4,9-10H2,1-3H3,(H,16,17);4-6,8-9H,7,10-11H2,1-3H3,(H,15,16);5-10,14H,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3*4-9H,1-3H3;3-10H,1-2H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;3-5,9H,1-2H3;3-4H,1-2H3,(H,11,12)/b;;;2*10-9+;9-8+;7-4+;7-6+;8-7+;9-8+;7-6+;;;;;;;;;.
What are the key properties of 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 3565.38 g/mol, XLogP of 63.35, 34 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;N-(4,4-dimethylpentyl)-4-methoxybenzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-methoxy-5-propan-2-ylthiophene;[(E)-3-methylbut-1-enyl]benzene;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 158196617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).