1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea

C149H138FN23O17S5 — CID 158943991

IUPAC1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
SMILESCOc1ccc(-c2ccc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cn1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2cnn(C)c2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(C2=CCC=C2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C31H29N5O4S.C30H28N4O4S.C30H28N4O3S.C29H25FN4O3S.C29H28N6O3S/c1-22-8-6-7-11-28(22)41(38,39)35-31(37)34-27(20-23-9-4-3-5-10-23)30-32-18-19-36(30)26-15-12-24(13-16-26)25-14-17-29(40-2)33-21-25;1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2;1-22-10-5-8-17-28(22)38(36,37)33-30(35)32-27(20-23-11-3-2-4-12-23)29-31-18-19-34(29)26-16-9-15-25(21-26)24-13-6-7-14-24;30-25-12-6-7-13-27(25)38(36,37)33-29(35)32-26(20-21-8-2-1-3-9-21)28-31-18-19-34(28)24-16-14-23(15-17-24)22-10-4-5-11-22;1-21-8-6-7-11-27(21)39(37,38)33-29(36)32-26(18-22-9-4-3-5-10-22)28-30-16-17-35(28)25-14-12-23(13-15-25)24-19-31-34(2)20-24/h3-19,21,27H,20H2,1-2H3,(H2,34,35,37);3-19,27H,20H2,1-2H3,(H2,32,33,35);2-6,8-19,21,27H,7,20H2,1H3,(H2,32,33,35);1-4,6-19,26H,5,20H2,(H2,32,33,35);3-17,19-20,26H,18H2,1-2H3,(H2,32,33,36)/t3*27-;2*26-/m00000/s1
InChIKeyJKPFFRPCMODJRY-HYPSPILTSA-N
MW2702.22 g/mol
LogP26.32
Rot. Bonds41

About 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea

1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 158943991) has the molecular formula C149H138FN23O17S5 and a molecular weight of 2702.22 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
PubChem CID158943991
Molecular FormulaC149H138FN23O17S5
Molecular Weight2702.22 g/mol
Exact Mass2699.92
IUPAC Name1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
SMILESCOc1ccc(-c2ccc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cn1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2cnn(C)c2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(C2=CCC=C2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C31H29N5O4S.C30H28N4O4S.C30H28N4O3S.C29H25FN4O3S.C29H28N6O3S/c1-22-8-6-7-11-28(22)41(38,39)35-31(37)34-27(20-23-9-4-3-5-10-23)30-32-18-19-36(30)26-15-12-24(13-16-26)25-14-17-29(40-2)33-21-25;1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2;1-22-10-5-8-17-28(22)38(36,37)33-30(35)32-27(20-23-11-3-2-4-12-23)29-31-18-19-34(29)26-16-9-15-25(21-26)24-13-6-7-14-24;30-25-12-6-7-13-27(25)38(36,37)33-29(35)32-26(20-21-8-2-1-3-9-21)28-31-18-19-34(28)24-16-14-23(15-17-24)22-10-4-5-11-22;1-21-8-6-7-11-27(21)39(37,38)33-29(36)32-26(18-22-9-4-3-5-10-22)28-30-16-17-35(28)25-14-12-23(13-15-25)24-19-31-34(2)20-24/h3-19,21,27H,20H2,1-2H3,(H2,34,35,37);3-19,27H,20H2,1-2H3,(H2,32,33,35);2-6,8-19,21,27H,7,20H2,1H3,(H2,32,33,35);1-4,6-19,26H,5,20H2,(H2,32,33,35);3-17,19-20,26H,18H2,1-2H3,(H2,32,33,36)/t3*27-;2*26-/m00000/s1
InChIKeyJKPFFRPCMODJRY-HYPSPILTSA-N
XLogP26.32
TPSA518.53 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.22
LogP ≤ 526.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea with MolForge

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 157452875
1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-methylindol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-(2-methylquinolin-6-yl)imidazol-2-yl]-2-phenylethyl]urea
CID 157784192
3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
CID 158019188
1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;bis(1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 159055430
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 159112645
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrazol-4-yl)imidazol-2-yl]ethyl]urea
CID 159481876
1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 159913583
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 160487734
(2S)-2-[acetyl(1-benzofuran-5-ylmethyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;6-[acetyl-[(1,5-dimethylpyrazol-3-yl)methyl]amino]-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-[(2-imidazol-1-ylacetyl)amino]-N,N-bis(2-methylpropyl)butanamide;2-[1-benzofuran-5-ylsulfonyl-[(1-methylimidazol-2-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 161557709

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The IUPAC name of 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (CID 158943991) is 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.
What is the SMILES notation for 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The canonical SMILES for 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is COc1ccc(-c2ccc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cn1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2C)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2cnn(C)c2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(C2=CCC=C2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(C2=CCC=C2)cc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The InChIKey is JKPFFRPCMODJRY-HYPSPILTSA-N. The full InChI is InChI=1S/C31H29N5O4S.C30H28N4O4S.C30H28N4O3S.C29H25FN4O3S.C29H28N6O3S/c1-22-8-6-7-11-28(22)41(38,39)35-31(37)34-27(20-23-9-4-3-5-10-23)30-32-18-19-36(30)26-15-12-24(13-16-26)25-14-17-29(40-2)33-21-25;1-21-8-6-7-11-28(21)39(36,37)33-30(35)32-27(20-23-9-4-3-5-10-23)29-31-17-18-34(29)25-14-12-24(13-15-25)26-16-19-38-22(26)2;1-22-10-5-8-17-28(22)38(36,37)33-30(35)32-27(20-23-11-3-2-4-12-23)29-31-18-19-34(29)26-16-9-15-25(21-26)24-13-6-7-14-24;30-25-12-6-7-13-27(25)38(36,37)33-29(35)32-26(20-21-8-2-1-3-9-21)28-31-18-19-34(28)24-16-14-23(15-17-24)22-10-4-5-11-22;1-21-8-6-7-11-27(21)39(37,38)33-29(36)32-26(18-22-9-4-3-5-10-22)28-30-16-17-35(28)25-14-12-23(13-15-25)24-19-31-34(2)20-24/h3-19,21,27H,20H2,1-2H3,(H2,34,35,37);3-19,27H,20H2,1-2H3,(H2,32,33,35);2-6,8-19,21,27H,7,20H2,1H3,(H2,32,33,35);1-4,6-19,26H,5,20H2,(H2,32,33,35);3-17,19-20,26H,18H2,1-2H3,(H2,32,33,36)/t3*27-;2*26-/m00000/s1.
What are the key properties of 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 2702.22 g/mol, XLogP of 26.32, 41 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(4-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(3-cyclopenta-1,4-dien-1-ylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(6-methoxy-3-pyridinyl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 158943991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).