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

C104H102F2N24O12S2 — CID 159404570

IUPAC1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)c1.O=C(Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C27H28N6O4S.C26H26N6O4S.C26H26N6O2.C25H22F2N6O2/c1-2-38(35,36)23-8-6-21(7-9-23)29-27(34)30-22-5-3-4-20(18-22)25-24(19-10-12-28-13-11-19)31-26(32-25)33-14-16-37-17-15-33;1-37(34,35)22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-36-16-14-32;1-18-4-2-6-21(16-18)28-26(33)29-22-7-3-5-20(17-22)24-23(19-8-10-27-11-9-19)30-25(31-24)32-12-14-34-15-13-32;26-18-4-5-21(20(27)15-18)30-25(34)29-19-3-1-2-17(14-19)23-22(16-6-8-28-9-7-16)31-24(32-23)33-10-12-35-13-11-33/h3-13,18H,2,14-17H2,1H3,(H,31,32)(H2,29,30,34);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-11,16-17H,12-15H2,1H3,(H,30,31)(H2,28,29,33);1-9,14-15H,10-13H2,(H,31,32)(H2,29,30,34)
InChIKeyLNUCOVQWDGEYBG-UHFFFAOYSA-N
MW1982.25 g/mol
LogP18.26
Rot. Bonds23

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

1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea (PubChem CID 159404570) has the molecular formula C104H102F2N24O12S2 and a molecular weight of 1982.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
PubChem CID159404570
Molecular FormulaC104H102F2N24O12S2
Molecular Weight1982.25 g/mol
Exact Mass1980.75
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)c1.O=C(Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C27H28N6O4S.C26H26N6O4S.C26H26N6O2.C25H22F2N6O2/c1-2-38(35,36)23-8-6-21(7-9-23)29-27(34)30-22-5-3-4-20(18-22)25-24(19-10-12-28-13-11-19)31-26(32-25)33-14-16-37-17-15-33;1-37(34,35)22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-36-16-14-32;1-18-4-2-6-21(16-18)28-26(33)29-22-7-3-5-20(17-22)24-23(19-8-10-27-11-9-19)30-25(31-24)32-12-14-34-15-13-32;26-18-4-5-21(20(27)15-18)30-25(34)29-19-3-1-2-17(14-19)23-22(16-6-8-28-9-7-16)31-24(32-23)33-10-12-35-13-11-33/h3-13,18H,2,14-17H2,1H3,(H,31,32)(H2,29,30,34);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-11,16-17H,12-15H2,1H3,(H,30,31)(H2,28,29,33);1-9,14-15H,10-13H2,(H,31,32)(H2,29,30,34)
InChIKeyLNUCOVQWDGEYBG-UHFFFAOYSA-N
XLogP18.26
TPSA448.96 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001982.25
LogP ≤ 518.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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

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Related Compounds

1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326710
1-(4-ethylsulfonylphenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea
CID 90326711
1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326723
1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
CID 90326724
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
5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 161588099
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 161944297
4-[[2-[4-(4-Fluorophenyl)-1-(1-methylsulfanylpropyl)-5-pyridin-4-ylimidazol-2-yl]phenyl]methyl]morpholine;4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine;morpholine
CID 88232689
1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
CID 90326716
1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea
CID 90326721
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 157404304
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea (CID 159404570) is 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea is CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)c1.O=C(Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea?
The InChIKey is LNUCOVQWDGEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S.C26H26N6O4S.C26H26N6O2.C25H22F2N6O2/c1-2-38(35,36)23-8-6-21(7-9-23)29-27(34)30-22-5-3-4-20(18-22)25-24(19-10-12-28-13-11-19)31-26(32-25)33-14-16-37-17-15-33;1-37(34,35)22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-36-16-14-32;1-18-4-2-6-21(16-18)28-26(33)29-22-7-3-5-20(17-22)24-23(19-8-10-27-11-9-19)30-25(31-24)32-12-14-34-15-13-32;26-18-4-5-21(20(27)15-18)30-25(34)29-19-3-1-2-17(14-19)23-22(16-6-8-28-9-7-16)31-24(32-23)33-10-12-35-13-11-33/h3-13,18H,2,14-17H2,1H3,(H,31,32)(H2,29,30,34);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-11,16-17H,12-15H2,1H3,(H,30,31)(H2,28,29,33);1-9,14-15H,10-13H2,(H,31,32)(H2,29,30,34).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea has a molecular weight of 1982.25 g/mol, XLogP of 18.26, 23 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(3-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylsulfonylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea is sourced from PubChem (CID 159404570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).