3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide

C17H16FN3O2 — CID 171064473

IUPAC3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(-c3cc(C(=O)N(C)C)cc(F)c3O)cc2[nH]1
InChIInChI=1S/C17H16FN3O2/c1-9-19-14-5-4-10(8-15(14)20-9)12-6-11(17(23)21(2)3)7-13(18)16(12)22/h4-8,22H,1-3H3,(H,19,20)
InChIKeyGVRDWQSTFRZWOO-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide

3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide (PubChem CID 171064473) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide
PubChem CID171064473
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(-c3cc(C(=O)N(C)C)cc(F)c3O)cc2[nH]1
InChIInChI=1S/C17H16FN3O2/c1-9-19-14-5-4-10(8-15(14)20-9)12-6-11(17(23)21(2)3)7-13(18)16(12)22/h4-8,22H,1-3H3,(H,19,20)
InChIKeyGVRDWQSTFRZWOO-UHFFFAOYSA-N
XLogP3.08
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide (CID 171064473) is 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide is Cc1nc2ccc(-c3cc(C(=O)N(C)C)cc(F)c3O)cc2[nH]1.
What is the InChIKey of 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is GVRDWQSTFRZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-9-19-14-5-4-10(8-15(14)20-9)12-6-11(17(23)21(2)3)7-13(18)16(12)22/h4-8,22H,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide?
3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 313.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N,N-dimethyl-5-(2-methyl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 171064473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).