N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

C26H32FN5O2 — CID 42826427

IUPACN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCN(C)C)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H32FN5O2/c1-19(2)16-25(34)31(15-14-30(3)4)18-24(33)29-26-28-23(20-8-6-5-7-9-20)17-32(26)22-12-10-21(27)11-13-22/h5-13,17,19H,14-16,18H2,1-4H3,(H,28,29,33)
InChIKeyQQHLUALYAKVATN-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.05
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 42826427) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID42826427
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCN(C)C)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H32FN5O2/c1-19(2)16-25(34)31(15-14-30(3)4)18-24(33)29-26-28-23(20-8-6-5-7-9-20)17-32(26)22-12-10-21(27)11-13-22/h5-13,17,19H,14-16,18H2,1-4H3,(H,28,29,33)
InChIKeyQQHLUALYAKVATN-UHFFFAOYSA-N
XLogP4.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide 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-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
CID 42827163
2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826543
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42825596
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
CID 93151283
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 46145530
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 3972120
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42828372
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42828402
(2R)-N-[2-[[4-(4-fluorophenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylpropanamide
CID 23649434

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (CID 42826427) is N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is CC(C)CC(=O)N(CCN(C)C)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is QQHLUALYAKVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-19(2)16-25(34)31(15-14-30(3)4)18-24(33)29-26-28-23(20-8-6-5-7-9-20)17-32(26)22-12-10-21(27)11-13-22/h5-13,17,19H,14-16,18H2,1-4H3,(H,28,29,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 465.57 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 42826427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).