N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide

C21H22F3N3O — CID 68679691

IUPACN,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C21H22F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyVQEMBRVFTHTOMD-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.85
Rot. Bonds6

About N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide

N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide (PubChem CID 68679691) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide
PubChem CID68679691
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C21H22F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyVQEMBRVFTHTOMD-UHFFFAOYSA-N
XLogP4.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide (CID 68679691) is N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide is CCN(CC)C(=O)CCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12.
What is the InChIKey of N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide?
The InChIKey is VQEMBRVFTHTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide?
N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide has a molecular weight of 389.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]propanamide is sourced from PubChem (CID 68679691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).