2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C25H24FN5O3 — CID 58278714

IUPAC2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)ccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H24FN5O3/c26-17-7-8-21(34-15-12-31-10-13-33-14-11-31)19(16-17)24-28-20-5-3-4-18(23(20)30-24)25(32)29-22-6-1-2-9-27-22/h1-9,16H,10-15H2,(H,28,30)(H,27,29,32)
InChIKeyKILGKTZBQGKLFN-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.73
Rot. Bonds7

About 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58278714) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID58278714
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)ccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H24FN5O3/c26-17-7-8-21(34-15-12-31-10-13-33-14-11-31)19(16-17)24-28-20-5-3-4-18(23(20)30-24)25(32)29-22-6-1-2-9-27-22/h1-9,16H,10-15H2,(H,28,30)(H,27,29,32)
InChIKeyKILGKTZBQGKLFN-UHFFFAOYSA-N
XLogP3.73
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58278714) is 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)ccc3OCCN3CCOCC3)nc12.
What is the InChIKey of 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is KILGKTZBQGKLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c26-17-7-8-21(34-15-12-31-10-13-33-14-11-31)19(16-17)24-28-20-5-3-4-18(23(20)30-24)25(32)29-22-6-1-2-9-27-22/h1-9,16H,10-15H2,(H,28,30)(H,27,29,32).
What are the key properties of 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).