4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole

C76H77Cl8F3N12O4 — CID 158406132

IUPAC4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole
SMILESCC(C)c1c(-n2cnc(C(=O)O)c2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(Cl)c2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cnc(C(=O)O)c1.CC(C)c1cc(Cl)ccc1-n1cnc(Cl)c1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1
InChIInChI=1S/C13H12ClFN2O2.C13H14ClFN2.C13H13ClN2O2.C13H15ClN2.C12H11Cl2FN2.C12H12Cl2N2/c1-7(2)11-10(4-3-8(14)12(11)15)17-5-9(13(18)19)16-6-17;1-8(2)12-11(5-4-10(14)13(12)15)17-6-9(3)16-7-17;1-8(2)10-5-9(14)3-4-12(10)16-6-11(13(17)18)15-7-16;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-7(2)11-9(4-3-8(13)12(11)15)17-5-10(14)16-6-17;1-8(2)10-5-9(13)3-4-11(10)16-6-12(14)15-7-16/h3-7H,1-2H3,(H,18,19);4-8H,1-3H3;3-8H,1-2H3,(H,17,18);4-9H,1-3H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyGYSIVLKGLYNXEL-UHFFFAOYSA-N
MW1563.15 g/mol
LogP23.63
Rot. Bonds14

About 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole

4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole (PubChem CID 158406132) has the molecular formula C76H77Cl8F3N12O4 and a molecular weight of 1563.15 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole
PubChem CID158406132
Molecular FormulaC76H77Cl8F3N12O4
Molecular Weight1563.15 g/mol
Exact Mass1558.37
IUPAC Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole
SMILESCC(C)c1c(-n2cnc(C(=O)O)c2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(Cl)c2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cnc(C(=O)O)c1.CC(C)c1cc(Cl)ccc1-n1cnc(Cl)c1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1
InChIInChI=1S/C13H12ClFN2O2.C13H14ClFN2.C13H13ClN2O2.C13H15ClN2.C12H11Cl2FN2.C12H12Cl2N2/c1-7(2)11-10(4-3-8(14)12(11)15)17-5-9(13(18)19)16-6-17;1-8(2)12-11(5-4-10(14)13(12)15)17-6-9(3)16-7-17;1-8(2)10-5-9(14)3-4-12(10)16-6-11(13(17)18)15-7-16;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-7(2)11-9(4-3-8(13)12(11)15)17-5-10(14)16-6-17;1-8(2)10-5-9(13)3-4-11(10)16-6-12(14)15-7-16/h3-7H,1-2H3,(H,18,19);4-8H,1-3H3;3-8H,1-2H3,(H,17,18);4-9H,1-3H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyGYSIVLKGLYNXEL-UHFFFAOYSA-N
XLogP23.63
TPSA181.52 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.15
LogP ≤ 523.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole?
The IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole (CID 158406132) is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole.
What is the SMILES notation for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole?
The canonical SMILES for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole is CC(C)c1c(-n2cnc(C(=O)O)c2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(Cl)c2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cnc(C(=O)O)c1.CC(C)c1cc(Cl)ccc1-n1cnc(Cl)c1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.
What is the InChIKey of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole?
The InChIKey is GYSIVLKGLYNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2.C13H14ClFN2.C13H13ClN2O2.C13H15ClN2.C12H11Cl2FN2.C12H12Cl2N2/c1-7(2)11-10(4-3-8(14)12(11)15)17-5-9(13(18)19)16-6-17;1-8(2)12-11(5-4-10(14)13(12)15)17-6-9(3)16-7-17;1-8(2)10-5-9(14)3-4-12(10)16-6-11(13(17)18)15-7-16;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-7(2)11-9(4-3-8(13)12(11)15)17-5-10(14)16-6-17;1-8(2)10-5-9(13)3-4-11(10)16-6-12(14)15-7-16/h3-7H,1-2H3,(H,18,19);4-8H,1-3H3;3-8H,1-2H3,(H,17,18);4-9H,1-3H3;3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole?
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole has a molecular weight of 1563.15 g/mol, XLogP of 23.63, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole is sourced from PubChem (CID 158406132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).