3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide

C24H20F2N4O2 — CID 171799532

IUPAC3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc3c(C)cc(C(=O)N(C)c4ccc(F)c(F)c4)cc32)cc1
InChIInChI=1S/C24H20F2N4O2/c1-14-10-16(24(32)29(3)19-8-9-20(25)21(26)12-19)11-22-23(14)27-13-30(22)18-6-4-17(5-7-18)28-15(2)31/h4-13H,1-3H3,(H,28,31)
InChIKeyHXEJTWCPJXXTSF-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.85
Rot. Bonds4

About 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide

3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide (PubChem CID 171799532) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide
PubChem CID171799532
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc3c(C)cc(C(=O)N(C)c4ccc(F)c(F)c4)cc32)cc1
InChIInChI=1S/C24H20F2N4O2/c1-14-10-16(24(32)29(3)19-8-9-20(25)21(26)12-19)11-22-23(14)27-13-30(22)18-6-4-17(5-7-18)28-15(2)31/h4-13H,1-3H3,(H,28,31)
InChIKeyHXEJTWCPJXXTSF-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide (CID 171799532) is 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide is CC(=O)Nc1ccc(-n2cnc3c(C)cc(C(=O)N(C)c4ccc(F)c(F)c4)cc32)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The InChIKey is HXEJTWCPJXXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-14-10-16(24(32)29(3)19-8-9-20(25)21(26)12-19)11-22-23(14)27-13-30(22)18-6-4-17(5-7-18)28-15(2)31/h4-13H,1-3H3,(H,28,31).
What are the key properties of 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 171799532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).