1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea

C104H106F2N20O8S2 — CID 158335660

IUPAC1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c(-c2ccncc2)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)c1
InChIInChI=1S/C27H29N5O3S.C26H27N5O3S.C26H27N5O.C25H23F2N5O/c1-5-36(34,35)22-11-9-20(10-12-22)29-26(33)30-21-8-6-7-19(17-21)24-23(18-13-15-28-16-14-18)31-25(32-24)27(2,3)4;1-26(2,3)24-30-22(17-12-14-27-15-13-17)23(31-24)18-6-5-7-20(16-18)29-25(32)28-19-8-10-21(11-9-19)35(4,33)34;1-17-7-5-9-20(15-17)28-25(32)29-21-10-6-8-19(16-21)23-22(18-11-13-27-14-12-18)30-24(31-23)26(2,3)4;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-5-4-6-18(13-16)29-24(33)30-20-8-7-17(26)14-19(20)27/h6-17H,5H2,1-4H3,(H,31,32)(H2,29,30,33);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyGQNWSXNPUSHJGA-UHFFFAOYSA-N
MW1866.25 g/mol
LogP24.10
Rot. Bonds19

About 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea

1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 158335660) has the molecular formula C104H106F2N20O8S2 and a molecular weight of 1866.25 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID158335660
Molecular FormulaC104H106F2N20O8S2
Molecular Weight1866.25 g/mol
Exact Mass1864.79
IUPAC Name1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c(-c2ccncc2)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)c1
InChIInChI=1S/C27H29N5O3S.C26H27N5O3S.C26H27N5O.C25H23F2N5O/c1-5-36(34,35)22-11-9-20(10-12-22)29-26(33)30-21-8-6-7-19(17-21)24-23(18-13-15-28-16-14-18)31-25(32-24)27(2,3)4;1-26(2,3)24-30-22(17-12-14-27-15-13-17)23(31-24)18-6-5-7-20(16-18)29-25(32)28-19-8-10-21(11-9-19)35(4,33)34;1-17-7-5-9-20(15-17)28-25(32)29-21-10-6-8-19(16-21)23-22(18-11-13-27-14-12-18)30-24(31-23)26(2,3)4;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-5-4-6-18(13-16)29-24(33)30-20-8-7-17(26)14-19(20)27/h6-17H,5H2,1-4H3,(H,31,32)(H2,29,30,33);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyGQNWSXNPUSHJGA-UHFFFAOYSA-N
XLogP24.10
TPSA399.08 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.25
LogP ≤ 524.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea with MolForge

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Related Compounds

1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326696
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 90326697
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 90326698
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326699
1-[5-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1H-imidazol-4-yl]-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 118319317
1-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1H-imidazol-4-yl]-5-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 118319379
1-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1H-imidazol-4-yl]-4-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 118319427
3-(2-Cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 158680316
5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 159363475
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(trifluoromethyl)-3H-indol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160059257
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine
CID 160315759
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
CID 160390313

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea (CID 158335660) is 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea is CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c(-c2ccncc2)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)c1.
What is the InChIKey of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is GQNWSXNPUSHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S.C26H27N5O3S.C26H27N5O.C25H23F2N5O/c1-5-36(34,35)22-11-9-20(10-12-22)29-26(33)30-21-8-6-7-19(17-21)24-23(18-13-15-28-16-14-18)31-25(32-24)27(2,3)4;1-26(2,3)24-30-22(17-12-14-27-15-13-17)23(31-24)18-6-5-7-20(16-18)29-25(32)28-19-8-10-21(11-9-19)35(4,33)34;1-17-7-5-9-20(15-17)28-25(32)29-21-10-6-8-19(16-21)23-22(18-11-13-27-14-12-18)30-24(31-23)26(2,3)4;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-5-4-6-18(13-16)29-24(33)30-20-8-7-17(26)14-19(20)27/h6-17H,5H2,1-4H3,(H,31,32)(H2,29,30,33);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-14H,1-3H3,(H,31,32)(H2,29,30,33).
What are the key properties of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 1866.25 g/mol, XLogP of 24.10, 19 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 158335660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).