1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea

C100H86Cl4F6N24O8 — CID 157311103

IUPAC1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(Cl)cc1F)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(F)cc1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F
InChIInChI=1S/C25H21Cl2FN6O2.C25H21ClF2N6O2.C25H22ClFN6O2.C25H22F2N6O2/c26-18-5-4-16(14-19(18)27)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-16-4-5-19(18(27)14-16)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-17-3-1-4-18(15-17)29-25(34)30-20-6-2-5-19(21(20)27)23-22(16-7-9-28-10-8-16)31-24(32-23)33-11-13-35-14-12-33;26-17-4-6-18(7-5-17)29-25(34)30-20-3-1-2-19(21(20)27)23-22(16-8-10-28-11-9-16)31-24(32-23)33-12-14-35-15-13-33/h2*1-9,14H,10-13H2,(H,32,33)(H2,30,31,35);1-10,15H,11-14H2,(H,31,32)(H2,29,30,34);1-11H,12-15H2,(H,31,32)(H2,29,30,34)
InChIKeyBDAYJERHVMFGEQ-UHFFFAOYSA-N
MW2007.75 g/mol
LogP21.93
Rot. Bonds20

About 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea

1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 157311103) has the molecular formula C100H86Cl4F6N24O8 and a molecular weight of 2007.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea
PubChem CID157311103
Molecular FormulaC100H86Cl4F6N24O8
Molecular Weight2007.75 g/mol
Exact Mass2004.57
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(Cl)cc1F)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(F)cc1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F
InChIInChI=1S/C25H21Cl2FN6O2.C25H21ClF2N6O2.C25H22ClFN6O2.C25H22F2N6O2/c26-18-5-4-16(14-19(18)27)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-16-4-5-19(18(27)14-16)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-17-3-1-4-18(15-17)29-25(34)30-20-6-2-5-19(21(20)27)23-22(16-7-9-28-10-8-16)31-24(32-23)33-11-13-35-14-12-33;26-17-4-6-18(7-5-17)29-25(34)30-20-3-1-2-19(21(20)27)23-22(16-8-10-28-11-9-16)31-24(32-23)33-12-14-35-15-13-33/h2*1-9,14H,10-13H2,(H,32,33)(H2,30,31,35);1-10,15H,11-14H2,(H,31,32)(H2,29,30,34);1-11H,12-15H2,(H,31,32)(H2,29,30,34)
InChIKeyBDAYJERHVMFGEQ-UHFFFAOYSA-N
XLogP21.93
TPSA380.68 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.75
LogP ≤ 521.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea (CID 157311103) is 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(Cl)cc1F)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(F)cc1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is BDAYJERHVMFGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN6O2.C25H21ClF2N6O2.C25H22ClFN6O2.C25H22F2N6O2/c26-18-5-4-16(14-19(18)27)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-16-4-5-19(18(27)14-16)30-25(35)31-20-3-1-2-17(21(20)28)23-22(15-6-8-29-9-7-15)32-24(33-23)34-10-12-36-13-11-34;26-17-3-1-4-18(15-17)29-25(34)30-20-6-2-5-19(21(20)27)23-22(16-7-9-28-10-8-16)31-24(32-23)33-11-13-35-14-12-33;26-17-4-6-18(7-5-17)29-25(34)30-20-3-1-2-19(21(20)27)23-22(16-8-10-28-11-9-16)31-24(32-23)33-12-14-35-15-13-33/h2*1-9,14H,10-13H2,(H,32,33)(H2,30,31,35);1-10,15H,11-14H2,(H,31,32)(H2,29,30,34);1-11H,12-15H2,(H,31,32)(H2,29,30,34).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea?
1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 2007.75 g/mol, XLogP of 21.93, 20 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 157311103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).