6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide

C22H11F4N5O — CID 134362515

IUPAC6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(F)c2F)cc2c1ncn2-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C22H11F4N5O/c23-13-1-2-14(24)20-17(13)15(4-6-28-20)31-9-30-19-12(22(27)32)7-10(8-16(19)31)11-3-5-29-21(26)18(11)25/h1-9H,(H2,27,32)
InChIKeyUHHSXRNFAJBYDH-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.29
Rot. Bonds3

About 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide

6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide (PubChem CID 134362515) has the molecular formula C22H11F4N5O and a molecular weight of 437.36 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide
PubChem CID134362515
Molecular FormulaC22H11F4N5O
Molecular Weight437.36 g/mol
Exact Mass437.09
IUPAC Name6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(F)c2F)cc2c1ncn2-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C22H11F4N5O/c23-13-1-2-14(24)20-17(13)15(4-6-28-20)31-9-30-19-12(22(27)32)7-10(8-16(19)31)11-3-5-29-21(26)18(11)25/h1-9H,(H2,27,32)
InChIKeyUHHSXRNFAJBYDH-UHFFFAOYSA-N
XLogP4.29
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide?
The IUPAC name of 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide (CID 134362515) is 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide is NC(=O)c1cc(-c2ccnc(F)c2F)cc2c1ncn2-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide?
The InChIKey is UHHSXRNFAJBYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F4N5O/c23-13-1-2-14(24)20-17(13)15(4-6-28-20)31-9-30-19-12(22(27)32)7-10(8-16(19)31)11-3-5-29-21(26)18(11)25/h1-9H,(H2,27,32).
What are the key properties of 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide?
6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134362515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).