N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide

C20H14FN3O4 — CID 135936848

IUPACN-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc12
InChIInChI=1S/C20H14FN3O4/c21-12-5-1-2-6-13(12)23-20(28)11-4-3-7-14-17(11)24-19(22-14)10-8-15(25)18(27)16(26)9-10/h1-9,25-27H,(H,22,24)(H,23,28)
InChIKeyCSSYXFFYQXSYMV-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.74
Rot. Bonds3

About N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide

N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 135936848) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID135936848
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC NameN-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc12
InChIInChI=1S/C20H14FN3O4/c21-12-5-1-2-6-13(12)23-20(28)11-4-3-7-14-17(11)24-19(22-14)10-8-15(25)18(27)16(26)9-10/h1-9,25-27H,(H,22,24)(H,23,28)
InChIKeyCSSYXFFYQXSYMV-UHFFFAOYSA-N
XLogP3.74
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide
CID 174567423
N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 88946343
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 46843856
N-(2-fluorophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702579
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide (CID 135936848) is N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccc1F)c1cccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc12.
What is the InChIKey of N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is CSSYXFFYQXSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-12-5-1-2-6-13(12)23-20(28)11-4-3-7-14-17(11)24-19(22-14)10-8-15(25)18(27)16(26)9-10/h1-9,25-27H,(H,22,24)(H,23,28).
What are the key properties of N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide?
N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 379.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 135936848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).