1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea

C103H98ClF7N20O5 — CID 158445648

IUPAC1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1
InChIInChI=1S/C26H23F4N5O.C26H26FN5O2.C26H26FN5O.C25H23ClFN5O/c1-25(2,3)23-34-21(15-10-12-31-13-11-15)22(35-23)16-4-9-19(27)20(14-16)33-24(36)32-18-7-5-17(6-8-18)26(28,29)30;1-26(2,3)24-31-22(16-11-13-28-14-12-16)23(32-24)17-5-10-20(27)21(15-17)30-25(33)29-18-6-8-19(34-4)9-7-18;1-16-5-8-19(9-6-16)29-25(33)30-21-15-18(7-10-20(21)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;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/h4-14H,1-3H3,(H,34,35)(H2,32,33,36);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyHDIYQBKINJCLFC-UHFFFAOYSA-N
MW1864.49 g/mol
LogP26.87
Rot. Bonds17

About 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158445648) has the molecular formula C103H98ClF7N20O5 and a molecular weight of 1864.49 g/mol. Its IUPAC name is 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID158445648
Molecular FormulaC103H98ClF7N20O5
Molecular Weight1864.49 g/mol
Exact Mass1862.76
IUPAC Name1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1
InChIInChI=1S/C26H23F4N5O.C26H26FN5O2.C26H26FN5O.C25H23ClFN5O/c1-25(2,3)23-34-21(15-10-12-31-13-11-15)22(35-23)16-4-9-19(27)20(14-16)33-24(36)32-18-7-5-17(6-8-18)26(28,29)30;1-26(2,3)24-31-22(16-11-13-28-14-12-16)23(32-24)17-5-10-20(27)21(15-17)30-25(33)29-18-6-8-19(34-4)9-7-18;1-16-5-8-19(9-6-16)29-25(33)30-21-15-18(7-10-20(21)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;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/h4-14H,1-3H3,(H,34,35)(H2,32,33,36);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyHDIYQBKINJCLFC-UHFFFAOYSA-N
XLogP26.87
TPSA340.03 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.49
LogP ≤ 526.87
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]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-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 158445648) is 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1.
What is the InChIKey of 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is HDIYQBKINJCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O.C26H26FN5O2.C26H26FN5O.C25H23ClFN5O/c1-25(2,3)23-34-21(15-10-12-31-13-11-15)22(35-23)16-4-9-19(27)20(14-16)33-24(36)32-18-7-5-17(6-8-18)26(28,29)30;1-26(2,3)24-31-22(16-11-13-28-14-12-16)23(32-24)17-5-10-20(27)21(15-17)30-25(33)29-18-6-8-19(34-4)9-7-18;1-16-5-8-19(9-6-16)29-25(33)30-21-15-18(7-10-20(21)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;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/h4-14H,1-3H3,(H,34,35)(H2,32,33,36);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);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-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1864.49 g/mol, XLogP of 26.87, 17 rotatable bonds, 12 hydrogen bond donors, and 13 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-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158445648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).