6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide

C16H16FN3O3 — CID 111481122

IUPAC6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2cc(F)cc3[nH]cnc23)o1
InChIInChI=1S/C16H16FN3O3/c1-9-3-4-13(23-9)16(2,22)7-18-15(21)11-5-10(17)6-12-14(11)20-8-19-12/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKFJSBNWLOQLGIW-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.24
Rot. Bonds4

About 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide (PubChem CID 111481122) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide
PubChem CID111481122
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2cc(F)cc3[nH]cnc23)o1
InChIInChI=1S/C16H16FN3O3/c1-9-3-4-13(23-9)16(2,22)7-18-15(21)11-5-10(17)6-12-14(11)20-8-19-12/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKFJSBNWLOQLGIW-UHFFFAOYSA-N
XLogP2.24
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide (CID 111481122) is 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2cc(F)cc3[nH]cnc23)o1.
What is the InChIKey of 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KFJSBNWLOQLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-9-3-4-13(23-9)16(2,22)7-18-15(21)11-5-10(17)6-12-14(11)20-8-19-12/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 111481122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).