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

C100H90Cl4F6N20O4 — CID 161103464

IUPAC1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2F)[nH]1
InChIInChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-15-7-8-17(26)18(27)13-15;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)18-8-5-9-19(20(18)27)30-24(33)29-17-7-4-6-16(26)14-17;1-25(2,3)23-31-21(15-11-13-28-14-12-15)22(32-23)18-5-4-6-19(20(18)27)30-24(33)29-17-9-7-16(26)8-10-17/h2*4-13H,1-3H3,(H,32,33)(H2,30,31,34);2*4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyUISWLJLEPNQKQB-UHFFFAOYSA-N
MW1891.76 g/mol
LogP27.77
Rot. Bonds16

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

1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea (PubChem CID 161103464) has the molecular formula C100H90Cl4F6N20O4 and a molecular weight of 1891.76 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
PubChem CID161103464
Molecular FormulaC100H90Cl4F6N20O4
Molecular Weight1891.76 g/mol
Exact Mass1888.61
IUPAC Name1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2F)[nH]1
InChIInChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-15-7-8-17(26)18(27)13-15;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)18-8-5-9-19(20(18)27)30-24(33)29-17-7-4-6-16(26)14-17;1-25(2,3)23-31-21(15-11-13-28-14-12-15)22(32-23)18-5-4-6-19(20(18)27)30-24(33)29-17-9-7-16(26)8-10-17/h2*4-13H,1-3H3,(H,32,33)(H2,30,31,34);2*4-14H,1-3H3,(H,31,32)(H2,29,30,33)
InChIKeyUISWLJLEPNQKQB-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-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea (CID 161103464) is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea is CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(Cl)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2F)[nH]1.
What is the InChIKey of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
The InChIKey is UISWLJLEPNQKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN5O.C25H22ClF2N5O.C25H23ClFN5O.C25H23F2N5O/c1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-15-7-8-17(26)18(27)13-15;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)18-8-5-9-19(20(18)27)30-24(33)29-17-7-4-6-16(26)14-17;1-25(2,3)23-31-21(15-11-13-28-14-12-15)22(32-23)18-5-4-6-19(20(18)27)30-24(33)29-17-9-7-16(26)8-10-17/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-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea?
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-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-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 161103464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).