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

C103H102ClF3N20O5 — CID 158811812

IUPAC1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1
InChIInChI=1S/C26H24F3N5O.C26H27N5O2.C26H27N5O.C25H24ClN5O/c1-25(2,3)23-33-21(16-11-13-30-14-12-16)22(34-23)17-5-4-6-20(15-17)32-24(35)31-19-9-7-18(8-10-19)26(27,28)29;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(33-4)11-9-19;1-17-8-10-20(11-9-17)28-25(32)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(31-23)26(2,3)4;1-25(2,3)23-30-21(16-11-13-27-14-12-16)22(31-23)17-5-4-6-20(15-17)29-24(32)28-19-9-7-18(26)8-10-19/h4-15H,1-3H3,(H,33,34)(H2,31,32,35);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-15H,1-3H3,(H,30,31)(H2,28,29,32)
InChIKeyIUUCSZGGWKKMGZ-UHFFFAOYSA-N
MW1792.53 g/mol
LogP26.31
Rot. Bonds17

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

1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158811812) has the molecular formula C103H102ClF3N20O5 and a molecular weight of 1792.53 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID158811812
Molecular FormulaC103H102ClF3N20O5
Molecular Weight1792.53 g/mol
Exact Mass1790.80
IUPAC Name1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1
InChIInChI=1S/C26H24F3N5O.C26H27N5O2.C26H27N5O.C25H24ClN5O/c1-25(2,3)23-33-21(16-11-13-30-14-12-16)22(34-23)17-5-4-6-20(15-17)32-24(35)31-19-9-7-18(8-10-19)26(27,28)29;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(33-4)11-9-19;1-17-8-10-20(11-9-17)28-25(32)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(31-23)26(2,3)4;1-25(2,3)23-30-21(16-11-13-27-14-12-16)22(31-23)17-5-4-6-20(15-17)29-24(32)28-19-9-7-18(26)8-10-19/h4-15H,1-3H3,(H,33,34)(H2,31,32,35);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-15H,1-3H3,(H,30,31)(H2,28,29,32)
InChIKeyIUUCSZGGWKKMGZ-UHFFFAOYSA-N
XLogP26.31
TPSA340.03 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001792.53
LogP ≤ 526.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 158811812) is 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.
What is the InChIKey of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is IUUCSZGGWKKMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O.C26H27N5O2.C26H27N5O.C25H24ClN5O/c1-25(2,3)23-33-21(16-11-13-30-14-12-16)22(34-23)17-5-4-6-20(15-17)32-24(35)31-19-9-7-18(8-10-19)26(27,28)29;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(33-4)11-9-19;1-17-8-10-20(11-9-17)28-25(32)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(31-23)26(2,3)4;1-25(2,3)23-30-21(16-11-13-27-14-12-16)22(31-23)17-5-4-6-20(15-17)29-24(32)28-19-9-7-18(26)8-10-19/h4-15H,1-3H3,(H,33,34)(H2,31,32,35);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-15H,1-3H3,(H,30,31)(H2,28,29,32).
What are the key properties of 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1792.53 g/mol, XLogP of 26.31, 17 rotatable bonds, 12 hydrogen bond donors, and 13 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-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158811812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).