1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea

C162H165ClN24O23S6 — CID 158519895

IUPAC1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
SMILESCCCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1Cl.CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(OC(C)C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C28H29ClN4O4S.C28H30N4O4S.C27H26N4O5S.C27H28N4O4S.2C26H26N4O3S/c1-3-17-37-25-14-13-22(19-23(25)29)33-16-15-30-27(33)24(18-21-10-5-4-6-11-21)31-28(34)32-38(35,36)26-12-8-7-9-20(26)2;1-20(2)36-24-15-13-23(14-16-24)32-18-17-29-27(32)25(19-22-10-5-4-6-11-22)30-28(33)31-37(34,35)26-12-8-7-9-21(26)3;1-19-7-5-6-10-25(19)37(33,34)30-27(32)29-22(17-20-8-3-2-4-9-20)26-28-13-14-31(26)21-11-12-23-24(18-21)36-16-15-35-23;1-3-35-23-14-9-13-22(19-23)31-17-16-28-26(31)24(18-21-11-5-4-6-12-21)29-27(32)30-36(33,34)25-15-8-7-10-20(25)2;2*1-19-9-8-13-22(17-19)30-16-15-27-25(30)23(18-21-11-4-3-5-12-21)28-26(31)29-34(32,33)24-14-7-6-10-20(24)2/h4-16,19,24H,3,17-18H2,1-2H3,(H2,31,32,34);4-18,20,25H,19H2,1-3H3,(H2,30,31,33);2-14,18,22H,15-17H2,1H3,(H2,29,30,32);4-17,19,24H,3,18H2,1-2H3,(H2,29,30,32);2*3-17,23H,18H2,1-2H3,(H2,28,29,31)/t24-;25-;22-;24-;2*23-/m000000/s1
InChIKeyHMBZIKZWDKALQH-QYMJCKDOSA-N
MW3044.10 g/mol
LogP27.93
Rot. Bonds49

About 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea

1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea (PubChem CID 158519895) has the molecular formula C162H165ClN24O23S6 and a molecular weight of 3044.10 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
PubChem CID158519895
Molecular FormulaC162H165ClN24O23S6
Molecular Weight3044.10 g/mol
Exact Mass3041.05
IUPAC Name1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
SMILESCCCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1Cl.CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(OC(C)C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C28H29ClN4O4S.C28H30N4O4S.C27H26N4O5S.C27H28N4O4S.2C26H26N4O3S/c1-3-17-37-25-14-13-22(19-23(25)29)33-16-15-30-27(33)24(18-21-10-5-4-6-11-21)31-28(34)32-38(35,36)26-12-8-7-9-20(26)2;1-20(2)36-24-15-13-23(14-16-24)32-18-17-29-27(32)25(19-22-10-5-4-6-11-22)30-28(33)31-37(34,35)26-12-8-7-9-21(26)3;1-19-7-5-6-10-25(19)37(33,34)30-27(32)29-22(17-20-8-3-2-4-9-20)26-28-13-14-31(26)21-11-12-23-24(18-21)36-16-15-35-23;1-3-35-23-14-9-13-22(19-23)31-17-16-28-26(31)24(18-21-11-5-4-6-12-21)29-27(32)30-36(33,34)25-15-8-7-10-20(25)2;2*1-19-9-8-13-22(17-19)30-16-15-27-25(30)23(18-21-11-4-3-5-12-21)28-26(31)29-34(32,33)24-14-7-6-10-20(24)2/h4-16,19,24H,3,17-18H2,1-2H3,(H2,31,32,34);4-18,20,25H,19H2,1-3H3,(H2,30,31,33);2-14,18,22H,15-17H2,1H3,(H2,29,30,32);4-17,19,24H,3,18H2,1-2H3,(H2,29,30,32);2*3-17,23H,18H2,1-2H3,(H2,28,29,31)/t24-;25-;22-;24-;2*23-/m000000/s1
InChIKeyHMBZIKZWDKALQH-QYMJCKDOSA-N
XLogP27.93
TPSA604.69 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003044.10
LogP ≤ 527.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea with MolForge

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Related Compounds

1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(1,1-difluoroethoxy)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-methoxy-2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 159417223
1-[(1S)-1-[1-[3-(1,1-difluoroethoxy)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
CID 160147549
1-[(1S)-1-[1-[4-(1,1-difluoroethoxy)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-methoxy-2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 160447481
1-[(1S)-1-[1-[4-(1,1-difluoroethoxy)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
CID 161015348
bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea
CID 157141786
1-[(1S)-1-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-(1-phenylimidazol-2-yl)ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea
CID 157714504
1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate
CID 158707803
1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;ethyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 158904651
1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea
CID 160884254
1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-chlorophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-prop-2-enoxyphenyl)imidazol-2-yl]ethyl]urea
CID 161386500

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea?
The IUPAC name of 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea (CID 158519895) is 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea?
The canonical SMILES for 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea is CCCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1Cl.CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(OC(C)C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea?
The InChIKey is HMBZIKZWDKALQH-QYMJCKDOSA-N. The full InChI is InChI=1S/C28H29ClN4O4S.C28H30N4O4S.C27H26N4O5S.C27H28N4O4S.2C26H26N4O3S/c1-3-17-37-25-14-13-22(19-23(25)29)33-16-15-30-27(33)24(18-21-10-5-4-6-11-21)31-28(34)32-38(35,36)26-12-8-7-9-20(26)2;1-20(2)36-24-15-13-23(14-16-24)32-18-17-29-27(32)25(19-22-10-5-4-6-11-22)30-28(33)31-37(34,35)26-12-8-7-9-21(26)3;1-19-7-5-6-10-25(19)37(33,34)30-27(32)29-22(17-20-8-3-2-4-9-20)26-28-13-14-31(26)21-11-12-23-24(18-21)36-16-15-35-23;1-3-35-23-14-9-13-22(19-23)31-17-16-28-26(31)24(18-21-11-5-4-6-12-21)29-27(32)30-36(33,34)25-15-8-7-10-20(25)2;2*1-19-9-8-13-22(17-19)30-16-15-27-25(30)23(18-21-11-4-3-5-12-21)28-26(31)29-34(32,33)24-14-7-6-10-20(24)2/h4-16,19,24H,3,17-18H2,1-2H3,(H2,31,32,34);4-18,20,25H,19H2,1-3H3,(H2,30,31,33);2-14,18,22H,15-17H2,1H3,(H2,29,30,32);4-17,19,24H,3,18H2,1-2H3,(H2,29,30,32);2*3-17,23H,18H2,1-2H3,(H2,28,29,31)/t24-;25-;22-;24-;2*23-/m000000/s1.
What are the key properties of 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea?
1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea has a molecular weight of 3044.10 g/mol, XLogP of 27.93, 49 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea is sourced from PubChem (CID 158519895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).