N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide

C24H19F4N3O — CID 22482489

IUPACN-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C24H19F4N3O/c1-14(32)30(2)12-15-6-3-11-21-23(15)29-24(22-19(27)9-5-10-20(22)28)31(21)13-16-17(25)7-4-8-18(16)26/h3-11H,12-13H2,1-2H3
InChIKeyDLHBWQRROLAMTA-UHFFFAOYSA-N
MW441.43 g/mol
LogP5.29
Rot. Bonds5

About N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide

N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide (PubChem CID 22482489) has the molecular formula C24H19F4N3O and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide
PubChem CID22482489
Molecular FormulaC24H19F4N3O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC NameN-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C24H19F4N3O/c1-14(32)30(2)12-15-6-3-11-21-23(15)29-24(22-19(27)9-5-10-20(22)28)31(21)13-16-17(25)7-4-8-18(16)26/h3-11H,12-13H2,1-2H3
InChIKeyDLHBWQRROLAMTA-UHFFFAOYSA-N
XLogP5.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
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1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
CID 468848
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CID 492674

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide (CID 22482489) is N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide?
The InChIKey is DLHBWQRROLAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O/c1-14(32)30(2)12-15-6-3-11-21-23(15)29-24(22-19(27)9-5-10-20(22)28)31(21)13-16-17(25)7-4-8-18(16)26/h3-11H,12-13H2,1-2H3.
What are the key properties of N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide?
N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide has a molecular weight of 441.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 22482489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).