5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide

C17H11FN4OS — CID 69121246

IUPAC5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-n2cnc3cc(-c4ccc(F)nc4)ccc32)s1
InChIInChI=1S/C17H11FN4OS/c18-15-5-2-11(8-20-15)10-1-3-13-12(7-10)21-9-22(13)16-6-4-14(24-16)17(19)23/h1-9H,(H2,19,23)
InChIKeyUQFUQXNCVQYWIV-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.39
Rot. Bonds3

About 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide

5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 69121246) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide
PubChem CID69121246
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-n2cnc3cc(-c4ccc(F)nc4)ccc32)s1
InChIInChI=1S/C17H11FN4OS/c18-15-5-2-11(8-20-15)10-1-3-13-12(7-10)21-9-22(13)16-6-4-14(24-16)17(19)23/h1-9H,(H2,19,23)
InChIKeyUQFUQXNCVQYWIV-UHFFFAOYSA-N
XLogP3.39
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.39
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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Related Compounds

5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
N-ethyl-5-(5-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284862
3-[(4E,6Z)-4-chloro-3-methylnona-4,6,8-trien-2-yl]phosphanyl-5-[5-(2-fluoro-4-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 143424801
5-[5-(2-amino-4-pyridinyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethylphosphanyl]thiophene-2-carboxamide
CID 143424613
methyl 5-[5-(6-chloro-3-pyridinyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 59821230
5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 69088284
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
CID 68805754
1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
CID 58284825
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
CID 171782138
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
5-[5-[2-[(2-aminoacetyl)amino]-4-pyridinyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 24953600
3-[1-(2-chlorophenyl)ethoxy]-5-[5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]benzimidazol-1-yl]thiophene-2-carboxamide
CID 75308652

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide (CID 69121246) is 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-n2cnc3cc(-c4ccc(F)nc4)ccc32)s1.
What is the InChIKey of 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The InChIKey is UQFUQXNCVQYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c18-15-5-2-11(8-20-15)10-1-3-13-12(7-10)21-9-22(13)16-6-4-14(24-16)17(19)23/h1-9H,(H2,19,23).
What are the key properties of 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide?
5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-fluoro-3-pyridinyl)benzimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 69121246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).