N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide

C19H12F2N4O — CID 47066056

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccncc1
InChIInChI=1S/C19H12F2N4O/c20-12-1-3-15(21)14(9-12)18-24-16-4-2-13(10-17(16)25-18)23-19(26)11-5-7-22-8-6-11/h1-10H,(H,23,26)(H,24,25)
InChIKeyFUADGZYHHJEHQQ-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.16
Rot. Bonds3

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide (PubChem CID 47066056) has the molecular formula C19H12F2N4O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
PubChem CID47066056
Molecular FormulaC19H12F2N4O
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccncc1
InChIInChI=1S/C19H12F2N4O/c20-12-1-3-15(21)14(9-12)18-24-16-4-2-13(10-17(16)25-18)23-19(26)11-5-7-22-8-6-11/h1-10H,(H,23,26)(H,24,25)
InChIKeyFUADGZYHHJEHQQ-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide (CID 47066056) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide is O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccncc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide?
The InChIKey is FUADGZYHHJEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O/c20-12-1-3-15(21)14(9-12)18-24-16-4-2-13(10-17(16)25-18)23-19(26)11-5-7-22-8-6-11/h1-10H,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 47066056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).