bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline

C222H311N15O7 — CID 158369417

IUPACbis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CC(C(C)C)O2.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)C)N2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)C)C2.CC(C)c1ccc2c(c1)[nH]c(=O)n2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1
InChIInChI=1S/C16H24.2C15H23N.C14H21N.C14H19N.C14H20O.2C14H18O.C14H20O.C14H18O.C13H18N2O.4C13H18N2.C13H17NO/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;3*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-8(2)10-5-6-12-11(7-10)14-13(16)15(12)9(3)4;2*1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;2*1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5,8-11,14,16H,6-7H2,1-4H3;5-6,9-11,13,16H,7-8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-7,9-10,14H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10,13H,8H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3,(H,14,16);3*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);5-9H,1-4H3
InChIKeyGUKWOLBZPVBLMU-UHFFFAOYSA-N
MW3302.03 g/mol
LogP64.77
Rot. Bonds32

About bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline

bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 158369417) has the molecular formula C222H311N15O7 and a molecular weight of 3302.03 g/mol. Its IUPAC name is bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Namebis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID158369417
Molecular FormulaC222H311N15O7
Molecular Weight3302.03 g/mol
Exact Mass3299.44
IUPAC Namebis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CC(C(C)C)O2.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)C)N2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)C)C2.CC(C)c1ccc2c(c1)[nH]c(=O)n2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1
InChIInChI=1S/C16H24.2C15H23N.C14H21N.C14H19N.C14H20O.2C14H18O.C14H20O.C14H18O.C13H18N2O.4C13H18N2.C13H17NO/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;3*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-8(2)10-5-6-12-11(7-10)14-13(16)15(12)9(3)4;2*1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;2*1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5,8-11,14,16H,6-7H2,1-4H3;5-6,9-11,13,16H,7-8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-7,9-10,14H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10,13H,8H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3,(H,14,16);3*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);5-9H,1-4H3
InChIKeyGUKWOLBZPVBLMU-UHFFFAOYSA-N
XLogP64.77
TPSA236.07 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.03
LogP ≤ 564.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-8-oxa-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaen-12-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 66556708
methyl N-[(2S)-1-[(2S)-2-[5-[6-(1,3-benzoxazol-2-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 134139093
methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127052942
US10596184, Example 54
CID 122447475
US10022387, Example 53
CID 122447482
methyl N-[1-[2-[5-[1-fluoro-3-[2-(4-fluoropyrrolidin-2-yl)-1,3-oxazol-5-yl]-6-[3-(3-methoxypropoxy)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123544327
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
methyl N-[(2S)-1-[(2S)-2-[5-[1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-pyrazolo[1,5-a]pyridin-2-yl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 134275516
methyl N-[(2S)-1-[(2S)-2-[5-[1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-pyrazolo[1,5-a]pyridin-2-yl-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 141683738
methyl N-[1-[(2S)-2-[5-[6-(1,3-benzoxazol-2-yl)-1-fluoro-3-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 146588297
methyl N-[1-[(2S)-2-[5-[1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-pyrazolo[1,5-a]pyridin-2-yl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 146588467
N-cyclopropyl-5-[5-[[4-[2-[4-[2-[[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-3-[3-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]phenyl]-1,2,4-triazol-1-yl]methyl]cyclopropyl]-5-[[2-methyl-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]amino]-1H-indazol-7-yl]cyclopropyl]-1H-indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxypyridine-2-carboxamide
CID 156060839

Frequently Asked Questions

What is the IUPAC name of bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 158369417) is bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc2c(c1)CC(C(C)C)O2.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC(C(C)C)N2.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)NCCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)C)C2.CC(C)c1ccc2c(c1)[nH]c(=O)n2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.
What is the InChIKey of bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GUKWOLBZPVBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.2C15H23N.C14H21N.C14H19N.C14H20O.2C14H18O.C14H20O.C14H18O.C13H18N2O.4C13H18N2.C13H17NO/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-14-13(11(3)4)7-8-16-15(14)9-12;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;3*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-8(2)10-5-6-12-11(7-10)14-13(16)15(12)9(3)4;2*1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;2*1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5,8-11,14,16H,6-7H2,1-4H3;5-6,9-11,13,16H,7-8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-7,9-10,14H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10,13H,8H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3,(H,14,16);3*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);5-9H,1-4H3.
What are the key properties of bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline?
bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 3302.03 g/mol, XLogP of 64.77, 32 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158369417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).