2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide

C21H17F2N5O — CID 131731002

IUPAC2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESNC(=O)Cc1cnc(-n2cnc3ccccc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O/c22-15-5-13(6-16(23)8-15)10-25-18-9-21(26-11-14(18)7-20(24)29)28-12-27-17-3-1-2-4-19(17)28/h1-6,8-9,11-12H,7,10H2,(H2,24,29)(H,25,26)
InChIKeyIJFXGDYJDFAEOY-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.34
Rot. Bonds6

About 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide

2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide (PubChem CID 131731002) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
PubChem CID131731002
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESNC(=O)Cc1cnc(-n2cnc3ccccc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O/c22-15-5-13(6-16(23)8-15)10-25-18-9-21(26-11-14(18)7-20(24)29)28-12-27-17-3-1-2-4-19(17)28/h1-6,8-9,11-12H,7,10H2,(H2,24,29)(H,25,26)
InChIKeyIJFXGDYJDFAEOY-UHFFFAOYSA-N
XLogP3.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The IUPAC name of 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide (CID 131731002) is 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide is NC(=O)Cc1cnc(-n2cnc3ccccc32)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The InChIKey is IJFXGDYJDFAEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-15-5-13(6-16(23)8-15)10-25-18-9-21(26-11-14(18)7-20(24)29)28-12-27-17-3-1-2-4-19(17)28/h1-6,8-9,11-12H,7,10H2,(H2,24,29)(H,25,26).
What are the key properties of 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide has a molecular weight of 393.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 131731002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).