2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C24H21FN4O2 — CID 46328885

IUPAC2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C24H21FN4O2/c1-15(30)27-20-9-4-16(5-10-20)12-23-28-21-11-6-18(13-22(21)29-23)24(31)26-14-17-2-7-19(25)8-3-17/h2-11,13H,12,14H2,1H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyYUJMRFSCKLQTDF-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.18
Rot. Bonds6

About 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide

2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 46328885) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID46328885
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C24H21FN4O2/c1-15(30)27-20-9-4-16(5-10-20)12-23-28-21-11-6-18(13-22(21)29-23)24(31)26-14-17-2-7-19(25)8-3-17/h2-11,13H,12,14H2,1H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyYUJMRFSCKLQTDF-UHFFFAOYSA-N
XLogP4.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-acetamidophenyl)ethyl]-N-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 50789577
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
CID 11349348
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526607

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 46328885) is 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide is CC(=O)Nc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YUJMRFSCKLQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15(30)27-20-9-4-16(5-10-20)12-23-28-21-11-6-18(13-22(21)29-23)24(31)26-14-17-2-7-19(25)8-3-17/h2-11,13H,12,14H2,1H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46328885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).