N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

C23H20FN3O3 — CID 1157477

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-11-12-21(30-2)19(13-17)25-22(28)14-27-20-6-4-3-5-18(20)26-23(27)15-7-9-16(24)10-8-15/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyYWKYMZPVKSHHGR-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.50
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 1157477) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID1157477
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-11-12-21(30-2)19(13-17)25-22(28)14-27-20-6-4-3-5-18(20)26-23(27)15-7-9-16(24)10-8-15/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyYWKYMZPVKSHHGR-UHFFFAOYSA-N
XLogP4.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (CID 1157477) is N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is YWKYMZPVKSHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-17-11-12-21(30-2)19(13-17)25-22(28)14-27-20-6-4-3-5-18(20)26-23(27)15-7-9-16(24)10-8-15/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1157477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).