N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C26H26FN3O3 — CID 55795884

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3O3/c1-18(33-16-19-6-5-7-22(14-19)32-2)26(31)29-24(20-10-12-21(27)13-11-20)15-30-17-28-23-8-3-4-9-25(23)30/h3-14,17-18,24H,15-16H2,1-2H3,(H,29,31)
InChIKeyYUFMCNSIOFBKAM-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.65
Rot. Bonds9

About N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 55795884) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID55795884
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3O3/c1-18(33-16-19-6-5-7-22(14-19)32-2)26(31)29-24(20-10-12-21(27)13-11-20)15-30-17-28-23-8-3-4-9-25(23)30/h3-14,17-18,24H,15-16H2,1-2H3,(H,29,31)
InChIKeyYUFMCNSIOFBKAM-UHFFFAOYSA-N
XLogP4.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
CID 38938953
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55795660
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686840
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 55795884) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is YUFMCNSIOFBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18(33-16-19-6-5-7-22(14-19)32-2)26(31)29-24(20-10-12-21(27)13-11-20)15-30-17-28-23-8-3-4-9-25(23)30/h3-14,17-18,24H,15-16H2,1-2H3,(H,29,31).
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 447.51 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 55795884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).