N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C22H25F3N4O2 — CID 55642613

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H25F3N4O2/c1-4-12-28-18-7-5-6-8-19(18)29(21(28)31)13-11-20(30)26-17-10-9-15(27(2)3)14-16(17)22(23,24)25/h5-10,14H,4,11-13H2,1-3H3,(H,26,30)
InChIKeyKEGZGVSRKLKQDN-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.33
Rot. Bonds7

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 55642613) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID55642613
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H25F3N4O2/c1-4-12-28-18-7-5-6-8-19(18)29(21(28)31)13-11-20(30)26-17-10-9-15(27(2)3)14-16(17)22(23,24)25/h5-10,14H,4,11-13H2,1-3H3,(H,26,30)
InChIKeyKEGZGVSRKLKQDN-UHFFFAOYSA-N
XLogP4.33
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-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-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 43068398
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
CID 46426398
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18285888
N-[4-[4-(dimethylamino)-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55642461
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38661995
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60576683
3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 43068458
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 46426415

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 55642613) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc21.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is KEGZGVSRKLKQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-4-12-28-18-7-5-6-8-19(18)29(21(28)31)13-11-20(30)26-17-10-9-15(27(2)3)14-16(17)22(23,24)25/h5-10,14H,4,11-13H2,1-3H3,(H,26,30).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 434.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55642613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).