N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

C25H28FN3O2 — CID 42819326

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(Cn2ccnc2CN(CC2CCCO2)C(=O)c2ccccc2F)c1
InChIInChI=1S/C25H28FN3O2/c1-18-9-10-19(2)20(14-18)15-28-12-11-27-24(28)17-29(16-21-6-5-13-31-21)25(30)22-7-3-4-8-23(22)26/h3-4,7-12,14,21H,5-6,13,15-17H2,1-2H3
InChIKeyINXYENNQKMVHKT-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.51
Rot. Bonds7

About N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42819326) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42819326
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(Cn2ccnc2CN(CC2CCCO2)C(=O)c2ccccc2F)c1
InChIInChI=1S/C25H28FN3O2/c1-18-9-10-19(2)20(14-18)15-28-12-11-27-24(28)17-29(16-21-6-5-13-31-21)25(30)22-7-3-4-8-23(22)26/h3-4,7-12,14,21H,5-6,13,15-17H2,1-2H3
InChIKeyINXYENNQKMVHKT-UHFFFAOYSA-N
XLogP4.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide 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-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819324
N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819568
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 42819969
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1453773
2-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136470
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 42819326) is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C)c(Cn2ccnc2CN(CC2CCCO2)C(=O)c2ccccc2F)c1.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is INXYENNQKMVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-18-9-10-19(2)20(14-18)15-28-12-11-27-24(28)17-29(16-21-6-5-13-31-21)25(30)22-7-3-4-8-23(22)26/h3-4,7-12,14,21H,5-6,13,15-17H2,1-2H3.
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42819326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).