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

C81H71FN14O11S3 — CID 159481876

IUPAC1-[(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
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cnn(-c2ccccc2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C28H26N6O3S.C27H24N4O4S.C26H21FN4O4S/c1-21-10-8-9-15-26(21)38(36,37)32-28(35)31-25(18-22-11-4-2-5-12-22)27-29-16-17-33(27)24-19-30-34(20-24)23-13-6-3-7-14-23;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;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h2-17,19-20,25H,18H2,1H3,(H2,31,32,35);2-16,18,23H,17H2,1H3,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t25-;23-;22-/m000/s1
InChIKeyLXCIUBOKNROUPH-IMCYPQRISA-N
MW1531.74 g/mol
LogP13.97
Rot. Bonds22

About 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

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 (PubChem CID 159481876) has the molecular formula C81H71FN14O11S3 and a molecular weight of 1531.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID159481876
Molecular FormulaC81H71FN14O11S3
Molecular Weight1531.74 g/mol
Exact Mass1530.46
IUPAC Name1-[(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
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cnn(-c2ccccc2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C28H26N6O3S.C27H24N4O4S.C26H21FN4O4S/c1-21-10-8-9-15-26(21)38(36,37)32-28(35)31-25(18-22-11-4-2-5-12-22)27-29-16-17-33(27)24-19-30-34(20-24)23-13-6-3-7-14-23;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;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h2-17,19-20,25H,18H2,1H3,(H2,31,32,35);2-16,18,23H,17H2,1H3,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t25-;23-;22-/m000/s1
InChIKeyLXCIUBOKNROUPH-IMCYPQRISA-N
XLogP13.97
TPSA323.37 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001531.74
LogP ≤ 513.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

1-[(1S)-1-[1-(benzofuran-5-yl)imidazol-2-yl]-2-phenyl-ethyl]-3-(2-fluorophenyl)sulfonyl-urea
CID 118950921
1-[1-[1-(1-Benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea
CID 118950922
1-[(1S)-1-[1-(benzofuran-5-yl)imidazol-2-yl]-2-phenyl-ethyl]-3-(o-tolylsulfonyl)urea
CID 118950686
1-[1-[1-(1-Benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950688
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
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-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-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-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate
CID 158173536
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cnn(-c2ccccc2)c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 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?
The InChIKey is LXCIUBOKNROUPH-IMCYPQRISA-N. The full InChI is InChI=1S/C28H26N6O3S.C27H24N4O4S.C26H21FN4O4S/c1-21-10-8-9-15-26(21)38(36,37)32-28(35)31-25(18-22-11-4-2-5-12-22)27-29-16-17-33(27)24-19-30-34(20-24)23-13-6-3-7-14-23;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;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h2-17,19-20,25H,18H2,1H3,(H2,31,32,35);2-16,18,23H,17H2,1H3,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t25-;23-;22-/m000/s1.
What are the key properties of 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?
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 has a molecular weight of 1531.74 g/mol, XLogP of 13.97, 22 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159481876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).