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

C100H90Cl4F6N20O4 — CID 159199847

IUPAC1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-7-19(28)20(12-15)31-24(34)30-16-5-6-17(26)18(27)13-16;1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-6-17(27)20(12-15)31-24(34)30-19-7-5-16(26)13-18(19)28;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-7-8-19(27)20(13-16)30-24(33)29-18-6-4-5-17(26)14-18;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)16-4-9-19(27)20(14-16)30-24(33)29-18-7-5-17(26)6-8-18/h2*4-13H,1-3H3,(H,32,33)(H2,30,31,34);2*4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyKPDMEOOLYSDTFZ-UHFFFAOYSA-N
MW1891.76 g/mol
LogP27.77
Rot. Bonds16

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

1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea (PubChem CID 159199847) has the molecular formula C100H90Cl4F6N20O4 and a molecular weight of 1891.76 g/mol. Its IUPAC name is 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
PubChem CID159199847
Molecular FormulaC100H90Cl4F6N20O4
Molecular Weight1891.76 g/mol
Exact Mass1888.61
IUPAC Name1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-7-19(28)20(12-15)31-24(34)30-16-5-6-17(26)18(27)13-16;1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-6-17(27)20(12-15)31-24(34)30-19-7-5-16(26)13-18(19)28;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-7-8-19(27)20(13-16)30-24(33)29-18-6-4-5-17(26)14-18;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)16-4-9-19(27)20(14-16)30-24(33)29-18-7-5-17(26)6-8-18/h2*4-13H,1-3H3,(H,32,33)(H2,30,31,34);2*4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyKPDMEOOLYSDTFZ-UHFFFAOYSA-N
XLogP27.77
TPSA330.80 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.76
LogP ≤ 527.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea (CID 159199847) is 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea is CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3F)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The InChIKey is KPDMEOOLYSDTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-7-19(28)20(12-15)31-24(34)30-16-5-6-17(26)18(27)13-16;1-25(2,3)23-32-21(14-8-10-29-11-9-14)22(33-23)15-4-6-17(27)20(12-15)31-24(34)30-19-7-5-16(26)13-18(19)28;1-25(2,3)23-31-21(15-9-11-28-12-10-15)22(32-23)16-7-8-19(27)20(13-16)30-24(33)29-18-6-4-5-17(26)14-18;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)16-4-9-19(27)20(14-16)30-24(33)29-18-7-5-17(26)6-8-18/h2*4-13H,1-3H3,(H,32,33)(H2,30,31,34);2*4-14H,1-3H3,(H,31,32)(H2,29,30,33).
What are the key properties of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea has a molecular weight of 1891.76 g/mol, XLogP of 27.77, 16 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 159199847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).