6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C21H11Cl3FN5O — CID 67290201

About 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290201) has the molecular formula C21H11Cl3FN5O and a molecular weight of 474.71 g/mol. Its IUPAC name is 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67290201
• Molecular Formula: C21H11Cl3FN5O
• Molecular Weight: 474.71 g/mol
• Exact Mass: 473.00
• IUPAC Name: 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2cc(Cl)cc(Cl)c2n1
• InChI: InChI=1S/C21H11Cl3FN5O/c22-12-3-11(4-14(25)6-12)10-1-2-16-17(5-10)28-21(27-16)29-20(31)18-9-30-8-13(23)7-15(24)19(30)26-18/h1-9H,(H2,27,28,29,31)
• InChIKey: GNBCRGJZVVTGOA-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.71
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67290201) is 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2cc(Cl)cc(Cl)c2n1.

What is the InChIKey of 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is GNBCRGJZVVTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl3FN5O/c22-12-3-11(4-14(25)6-12)10-1-2-16-17(5-10)28-21(27-16)29-20(31)18-9-30-8-13(23)7-15(24)19(30)26-18/h1-9H,(H2,27,28,29,31).

What are the key properties of 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 474.71 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).