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

C25H23F2N5O3 — CID 58279324

IUPAC2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)cc(F)c3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H23F2N5O3/c26-16-14-18(23(19(27)15-16)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)
InChIKeyQFRGCYGEXYSLIA-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.87
Rot. Bonds7

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

2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279324) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279324
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)cc(F)c3OCCN3CCOCC3)nc12
InChIInChI=1S/C25H23F2N5O3/c26-16-14-18(23(19(27)15-16)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)
InChIKeyQFRGCYGEXYSLIA-UHFFFAOYSA-N
XLogP3.87
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278902
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278992
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279447
2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 58278746
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
CID 58279154
2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279284

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58279324) is 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(F)cc(F)c3OCCN3CCOCC3)nc12.
What is the InChIKey of 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is QFRGCYGEXYSLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c26-16-14-18(23(19(27)15-16)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-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).