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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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

C184H178BrClF2N28O25S7 — CID 159253860

IUPAC1-[(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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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
SMILESC=CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COc1ccccc1-n1ccnc1[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Br)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(OC(C)(F)F)c1
InChIInChI=1S/C28H28N4O4S.C27H26F2N4O4S.C27H26N4O4S.C26H26N4O4S.C26H26N4O3S.C25H23BrN4O3S.C25H23ClN4O3S/c1-3-18-36-24-14-9-13-23(20-24)32-17-16-29-27(32)25(19-22-11-5-4-6-12-22)30-28(33)31-37(34,35)26-15-8-7-10-21(26)2;1-19-9-6-7-14-24(19)38(35,36)32-26(34)31-23(17-20-10-4-3-5-11-20)25-30-15-16-33(25)21-12-8-13-22(18-21)37-27(2,28)29;1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-19-10-6-9-15-24(19)35(32,33)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)34-2;1-19-12-14-22(15-13-19)30-17-16-27-25(30)23(18-21-9-4-3-5-10-21)28-26(31)29-34(32,33)24-11-7-6-8-20(24)2;2*1-18-7-5-6-10-23(18)34(32,33)29-25(31)28-22(17-19-8-3-2-4-9-19)24-27-15-16-30(24)21-13-11-20(26)12-14-21/h3-17,20,25H,1,18-19H2,2H3,(H2,30,31,33);3-16,18,23H,17H2,1-2H3,(H2,31,32,34);2-12,14-15,18,23H,13,16-17H2,1H3,(H2,29,30,32);3-17,21H,18H2,1-2H3,(H2,28,29,31);3-17,23H,18H2,1-2H3,(H2,28,29,31);2*2-16,22H,17H2,1H3,(H2,28,29,31)/t25-;2*23-;21-;23-;2*22-/m0000000/s1
InChIKeyKVQIALVCAJETFD-KQSRJHHRSA-N
MW3559.44 g/mol
LogP32.29
Rot. Bonds55

About 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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

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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 (PubChem CID 159253860) has the molecular formula C184H178BrClF2N28O25S7 and a molecular weight of 3559.44 g/mol. Its IUPAC name is 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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.

Molecular Properties

Compound Name1-[(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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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
PubChem CID159253860
Molecular FormulaC184H178BrClF2N28O25S7
Molecular Weight3559.44 g/mol
Exact Mass3555.04
IUPAC Name1-[(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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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
SMILESC=CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COc1ccccc1-n1ccnc1[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Br)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(OC(C)(F)F)c1
InChIInChI=1S/C28H28N4O4S.C27H26F2N4O4S.C27H26N4O4S.C26H26N4O4S.C26H26N4O3S.C25H23BrN4O3S.C25H23ClN4O3S/c1-3-18-36-24-14-9-13-23(20-24)32-17-16-29-27(32)25(19-22-11-5-4-6-12-22)30-28(33)31-37(34,35)26-15-8-7-10-21(26)2;1-19-9-6-7-14-24(19)38(35,36)32-26(34)31-23(17-20-10-4-3-5-11-20)25-30-15-16-33(25)21-12-8-13-22(18-21)37-27(2,28)29;1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-19-10-6-9-15-24(19)35(32,33)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)34-2;1-19-12-14-22(15-13-19)30-17-16-27-25(30)23(18-21-9-4-3-5-10-21)28-26(31)29-34(32,33)24-11-7-6-8-20(24)2;2*1-18-7-5-6-10-23(18)34(32,33)29-25(31)28-22(17-19-8-3-2-4-9-19)24-27-15-16-30(24)21-13-11-20(26)12-14-21/h3-17,20,25H,1,18-19H2,2H3,(H2,30,31,33);3-16,18,23H,17H2,1-2H3,(H2,31,32,34);2-12,14-15,18,23H,13,16-17H2,1H3,(H2,29,30,32);3-17,21H,18H2,1-2H3,(H2,28,29,31);3-17,23H,18H2,1-2H3,(H2,28,29,31);2*2-16,22H,17H2,1H3,(H2,28,29,31)/t25-;2*23-;21-;23-;2*22-/m0000000/s1
InChIKeyKVQIALVCAJETFD-KQSRJHHRSA-N
XLogP32.29
TPSA688.55 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds55
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003559.44
LogP ≤ 532.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 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-(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
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-(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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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?
The IUPAC name of 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 159253860) is 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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.
What is the SMILES notation for 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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?
The canonical SMILES for 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 is C=CCOc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COc1ccccc1-n1ccnc1[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Br)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Cl)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(OC(C)(F)F)c1.
What is the InChIKey of 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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?
The InChIKey is KVQIALVCAJETFD-KQSRJHHRSA-N. The full InChI is InChI=1S/C28H28N4O4S.C27H26F2N4O4S.C27H26N4O4S.C26H26N4O4S.C26H26N4O3S.C25H23BrN4O3S.C25H23ClN4O3S/c1-3-18-36-24-14-9-13-23(20-24)32-17-16-29-27(32)25(19-22-11-5-4-6-12-22)30-28(33)31-37(34,35)26-15-8-7-10-21(26)2;1-19-9-6-7-14-24(19)38(35,36)32-26(34)31-23(17-20-10-4-3-5-11-20)25-30-15-16-33(25)21-12-8-13-22(18-21)37-27(2,28)29;1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-19-10-6-9-15-24(19)35(32,33)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)34-2;1-19-12-14-22(15-13-19)30-17-16-27-25(30)23(18-21-9-4-3-5-10-21)28-26(31)29-34(32,33)24-11-7-6-8-20(24)2;2*1-18-7-5-6-10-23(18)34(32,33)29-25(31)28-22(17-19-8-3-2-4-9-19)24-27-15-16-30(24)21-13-11-20(26)12-14-21/h3-17,20,25H,1,18-19H2,2H3,(H2,30,31,33);3-16,18,23H,17H2,1-2H3,(H2,31,32,34);2-12,14-15,18,23H,13,16-17H2,1H3,(H2,29,30,32);3-17,21H,18H2,1-2H3,(H2,28,29,31);3-17,23H,18H2,1-2H3,(H2,28,29,31);2*2-16,22H,17H2,1H3,(H2,28,29,31)/t25-;2*23-;21-;23-;2*22-/m0000000/s1.
What are the key properties of 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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?
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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 has a molecular weight of 3559.44 g/mol, XLogP of 32.29, 55 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[3-(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;1-[(1S)-1-[1-(2-methoxyphenyl)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 is sourced from PubChem (CID 159253860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).