2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C25H23ClFN5O3 — CID 58278902

IUPAC2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)cc(Cl)c3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H23ClFN5O3/c26-19-15-16(27)14-18(23(19)35-13-10-32-8-11-34-12-9-32)24-29-20-5-3-4-17(22(20)31-24)25(33)30-21-6-1-2-7-28-21/h1-7,14-15H,8-13H2,(H,29,31)(H,28,30,33)
InChIKeyCBHCFAXSPTXUJT-UHFFFAOYSA-N
MW495.94 g/mol
LogP4.38
Rot. Bonds7

About 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58278902) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID58278902
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)cc(Cl)c3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H23ClFN5O3/c26-19-15-16(27)14-18(23(19)35-13-10-32-8-11-34-12-9-32)24-29-20-5-3-4-17(22(20)31-24)25(33)30-21-6-1-2-7-28-21/h1-7,14-15H,8-13H2,(H,29,31)(H,28,30,33)
InChIKeyCBHCFAXSPTXUJT-UHFFFAOYSA-N
XLogP4.38
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58278902) is 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-chloro-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)cc(Cl)c3OCCN3CCOCC3)nc12.
What is the InChIKey of 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is CBHCFAXSPTXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c26-19-15-16(27)14-18(23(19)35-13-10-32-8-11-34-12-9-32)24-29-20-5-3-4-17(22(20)31-24)25(33)30-21-6-1-2-7-28-21/h1-7,14-15H,8-13H2,(H,29,31)(H,28,30,33).
What are the key properties of 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 495.94 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).