N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline

C24H22ClF2N3 — CID 143106762

IUPACN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(CC1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1
InChIInChI=1S/C24H22ClF2N3/c1-29(22-12-8-20(27)9-13-22)15-21-16-30(23-10-4-18(25)5-11-23)24(28-21)14-17-2-6-19(26)7-3-17/h2-13,21H,14-16H2,1H3
InChIKeyYEGDVJXBMWLYBA-UHFFFAOYSA-N
MW425.91 g/mol
LogP5.58
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline

N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 143106762) has the molecular formula C24H22ClF2N3 and a molecular weight of 425.91 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID143106762
Molecular FormulaC24H22ClF2N3
Molecular Weight425.91 g/mol
Exact Mass425.15
IUPAC NameN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(CC1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1
InChIInChI=1S/C24H22ClF2N3/c1-29(22-12-8-20(27)9-13-22)15-21-16-30(23-10-4-18(25)5-11-23)24(28-21)14-17-2-6-19(26)7-3-17/h2-13,21H,14-16H2,1H3
InChIKeyYEGDVJXBMWLYBA-UHFFFAOYSA-N
XLogP5.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline with MolForge

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Related Compounds

3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
6-chloro-4-(3-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758371
6-chloro-4-(4-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756884
6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
CID 54757707
6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757710
6-chloro-2-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinazoline
CID 54757711
6-chloro-2-methyl-4-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-4H-quinazoline
CID 54757803
6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline
CID 54757804
2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine
CID 54757897

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline (CID 143106762) is N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline is CN(CC1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is YEGDVJXBMWLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3/c1-29(22-12-8-20(27)9-13-22)15-21-16-30(23-10-4-18(25)5-11-23)24(28-21)14-17-2-6-19(26)7-3-17/h2-13,21H,14-16H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 425.91 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 143106762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).