N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide

C15H12FN3O — CID 43397751

IUPACN-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12FN3O/c1-9-2-4-11(16)7-13(9)19-15(20)10-3-5-12-14(6-10)18-8-17-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJSIABMRAUZLXLP-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.26
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide

N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43397751) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID43397751
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12FN3O/c1-9-2-4-11(16)7-13(9)19-15(20)10-3-5-12-14(6-10)18-8-17-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJSIABMRAUZLXLP-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
CID 4555053
N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 110792971
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide (CID 43397751) is N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is JSIABMRAUZLXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-2-4-11(16)7-13(9)19-15(20)10-3-5-12-14(6-10)18-8-17-12/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43397751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).