6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

C18H16F2N4O — CID 16665934

IUPAC6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12
InChIInChI=1S/C18H16F2N4O/c19-10-7-12(17(21)25)16-15(8-10)23-18(24-16)11-4-3-9(6-13(11)20)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5H2,(H2,21,25)(H,23,24)
InChIKeyXGENYJUHKQYGTB-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.03
Rot. Bonds3

About 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 16665934) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID16665934
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12
InChIInChI=1S/C18H16F2N4O/c19-10-7-12(17(21)25)16-15(8-10)23-18(24-16)11-4-3-9(6-13(11)20)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5H2,(H2,21,25)(H,23,24)
InChIKeyXGENYJUHKQYGTB-UHFFFAOYSA-N
XLogP3.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (CID 16665934) is 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12.
What is the InChIKey of 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XGENYJUHKQYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-10-7-12(17(21)25)16-15(8-10)23-18(24-16)11-4-3-9(6-13(11)20)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5H2,(H2,21,25)(H,23,24).
What are the key properties of 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).