N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

C24H23F2N3O3 — CID 24597912

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC(C)c3nc4ccccc4n3C(F)F)o2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-15(23-28-19-5-3-4-6-20(19)29(23)24(25)26)27-22(30)14-12-18-11-13-21(32-18)16-7-9-17(31-2)10-8-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,30)
InChIKeyYLUXKCAFVUABAM-UHFFFAOYSA-N
MW439.46 g/mol
LogP5.51
Rot. Bonds8

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 24597912) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
PubChem CID24597912
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC(C)c3nc4ccccc4n3C(F)F)o2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-15(23-28-19-5-3-4-6-20(19)29(23)24(25)26)27-22(30)14-12-18-11-13-21(32-18)16-7-9-17(31-2)10-8-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,30)
InChIKeyYLUXKCAFVUABAM-UHFFFAOYSA-N
XLogP5.51
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921779
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921818
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26010955
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 55380808
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 24597912) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)NC(C)c3nc4ccccc4n3C(F)F)o2)cc1.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The InChIKey is YLUXKCAFVUABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-15(23-28-19-5-3-4-6-20(19)29(23)24(25)26)27-22(30)14-12-18-11-13-21(32-18)16-7-9-17(31-2)10-8-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 439.46 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 24597912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).