4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine

C216H280BrCl2F5N10O8 — CID 162268098

IUPAC4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
SMILESC#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1ccccc1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1nccc2ccccc12.COc1c(C)cccc1C(C)C.COc1cc(Cl)cc(C(C)C)c1.COc1cc(F)ccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1Cl
InChIInChI=1S/C15H16.C13H16.C12H13N.C12H16.C11H13N3.C11H14N2O.C11H13N.C11H16O.2C11H16.C10H13ClO.C10H13Cl.C10H12F2.C10H13FO.C10H14O.C9H10F2.2C9H12O.C8H13N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-5-4-8(11)6-10(9)12-3;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-4-3-5-8(10)9(7)11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-7,10H,1-2H3;4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9)
InChIKeyXSSRHCSDOHQZCA-UHFFFAOYSA-N
MW3390.48 g/mol
LogP64.71
Rot. Bonds32

About 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine

4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine (PubChem CID 162268098) has the molecular formula C216H280BrCl2F5N10O8 and a molecular weight of 3390.48 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
PubChem CID162268098
Molecular FormulaC216H280BrCl2F5N10O8
Molecular Weight3390.48 g/mol
Exact Mass3386.03
IUPAC Name4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
SMILESC#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1ccccc1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1nccc2ccccc12.COc1c(C)cccc1C(C)C.COc1cc(Cl)cc(C(C)C)c1.COc1cc(F)ccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1Cl
InChIInChI=1S/C15H16.C13H16.C12H13N.C12H16.C11H13N3.C11H14N2O.C11H13N.C11H16O.2C11H16.C10H13ClO.C10H13Cl.C10H12F2.C10H13FO.C10H14O.C9H10F2.2C9H12O.C8H13N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-5-4-8(11)6-10(9)12-3;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-4-3-5-8(10)9(7)11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-7,10H,1-2H3;4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9)
InChIKeyXSSRHCSDOHQZCA-UHFFFAOYSA-N
XLogP64.71
TPSA236.20 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003390.48
LogP ≤ 564.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine (CID 162268098) is 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine is C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1ccccc1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.CC(C)c1nccc2ccccc12.COc1c(C)cccc1C(C)C.COc1cc(Cl)cc(C(C)C)c1.COc1cc(F)ccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1Cl.
What is the InChIKey of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The InChIKey is XSSRHCSDOHQZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C13H16.C12H13N.C12H16.C11H13N3.C11H14N2O.C11H13N.C11H16O.2C11H16.C10H13ClO.C10H13Cl.C10H12F2.C10H13FO.C10H14O.C9H10F2.2C9H12O.C8H13N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-5-4-8(11)6-10(9)12-3;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-4-3-5-8(10)9(7)11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-7,10H,1-2H3;4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9).
What are the key properties of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine has a molecular weight of 3390.48 g/mol, XLogP of 64.71, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 162268098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).