N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C25H27F2N5O2 — CID 52548576

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)nc2ccccc21
InChIInChI=1S/C25H27F2N5O2/c1-3-31(4-2)13-14-32-21-8-6-5-7-20(21)29-25(32)30-23(33)11-12-24-28-16-22(34-24)18-10-9-17(26)15-19(18)27/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,33)
InChIKeyMJZIYPRBOGWXGH-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.88
Rot. Bonds10

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 52548576) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID52548576
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)nc2ccccc21
InChIInChI=1S/C25H27F2N5O2/c1-3-31(4-2)13-14-32-21-8-6-5-7-20(21)29-25(32)30-23(33)11-12-24-28-16-22(34-24)18-10-9-17(26)15-19(18)27/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,33)
InChIKeyMJZIYPRBOGWXGH-UHFFFAOYSA-N
XLogP4.88
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-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-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623468
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 29494556
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 167774022

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 52548576) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is CCN(CC)CCn1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is MJZIYPRBOGWXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-3-31(4-2)13-14-32-21-8-6-5-7-20(21)29-25(32)30-23(33)11-12-24-28-16-22(34-24)18-10-9-17(26)15-19(18)27/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,33).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 467.52 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 52548576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).