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

C23H16ClF2N5O2 — CID 67290065

IUPACN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C23H16ClF2N5O2/c1-2-33-20-9-16(26)10-31-11-19(27-21(20)31)22(32)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,2H2,1H3,(H2,28,29,30,32)
InChIKeyJASUNZVQTOHPOQ-UHFFFAOYSA-N
MW467.86 g/mol
LogP5.46
Rot. Bonds5

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

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290065) has the molecular formula C23H16ClF2N5O2 and a molecular weight of 467.86 g/mol. Its IUPAC name is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67290065
Molecular FormulaC23H16ClF2N5O2
Molecular Weight467.86 g/mol
Exact Mass467.10
IUPAC NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C23H16ClF2N5O2/c1-2-33-20-9-16(26)10-31-11-19(27-21(20)31)22(32)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,2H2,1H3,(H2,28,29,30,32)
InChIKeyJASUNZVQTOHPOQ-UHFFFAOYSA-N
XLogP5.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.86
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 67290065) is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is CCOc1cc(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]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JASUNZVQTOHPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N5O2/c1-2-33-20-9-16(26)10-31-11-19(27-21(20)31)22(32)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,2H2,1H3,(H2,28,29,30,32).
What are the key properties of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 467.86 g/mol, XLogP of 5.46, 5 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]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).