6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid

C25H16Cl2FN3O2 — CID 66987552

About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid (PubChem CID 66987552) has the molecular formula C25H16Cl2FN3O2 and a molecular weight of 480.33 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid
• PubChem CID: 66987552
• Molecular Formula: C25H16Cl2FN3O2
• Molecular Weight: 480.33 g/mol
• Exact Mass: 479.06
• IUPAC Name: 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid
• SMILES: O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C25H16Cl2FN3O2/c26-16-5-1-14(2-6-16)12-31-13-29-22(15-3-8-18(28)9-4-15)24(31)21-19-10-7-17(27)11-20(19)30-23(21)25(32)33/h1-11,13,30H,12H2,(H,32,33)
• InChIKey: NWNGVZPSPZEVFZ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 70.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.33
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid?

The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid (CID 66987552) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid.

What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid?

The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1.

What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid?

The InChIKey is NWNGVZPSPZEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2FN3O2/c26-16-5-1-14(2-6-16)12-31-13-29-22(15-3-8-18(28)9-4-15)24(31)21-19-10-7-17(27)11-20(19)30-23(21)25(32)33/h1-11,13,30H,12H2,(H,32,33).

What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid?

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid has a molecular weight of 480.33 g/mol, XLogP of 6.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 66987552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).