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

C22H14ClF2N5O2 — CID 67291129

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

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67291129) has the molecular formula C22H14ClF2N5O2 and a molecular weight of 453.84 g/mol. Its IUPAC name is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67291129
• Molecular Formula: C22H14ClF2N5O2
• Molecular Weight: 453.84 g/mol
• Exact Mass: 453.08
• IUPAC Name: N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: COc1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
• InChI: InChI=1S/C22H14ClF2N5O2/c1-32-19-8-15(25)9-30-10-18(26-20(19)30)21(31)29-22-27-16-3-2-11(6-17(16)28-22)12-4-13(23)7-14(24)5-12/h2-10H,1H3,(H2,27,28,29,31)
• InChIKey: LHPZRLWEXCQVDF-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.84
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide (CID 67291129) is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide.

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

The canonical SMILES for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide is COc1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12.

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

The InChIKey is LHPZRLWEXCQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2N5O2/c1-32-19-8-15(25)9-30-10-18(26-20(19)30)21(31)29-22-27-16-3-2-11(6-17(16)28-22)12-4-13(23)7-14(24)5-12/h2-10H,1H3,(H2,27,28,29,31).

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

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 453.84 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67291129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).