N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline

C24H28ClFN4S — CID 11248140

IUPACN-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(CCSc1ncc(CN(C)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C24H28ClFN4S/c1-28(16-18-3-4-18)13-14-31-24-27-15-23(30(24)22-9-5-19(25)6-10-22)17-29(2)21-11-7-20(26)8-12-21/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3
InChIKeyUOWBTACZCZJHMM-UHFFFAOYSA-N
MW459.03 g/mol
LogP5.74
Rot. Bonds10

About N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline

N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 11248140) has the molecular formula C24H28ClFN4S and a molecular weight of 459.03 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID11248140
Molecular FormulaC24H28ClFN4S
Molecular Weight459.03 g/mol
Exact Mass458.17
IUPAC NameN-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(CCSc1ncc(CN(C)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C24H28ClFN4S/c1-28(16-18-3-4-18)13-14-31-24-27-15-23(30(24)22-9-5-19(25)6-10-22)17-29(2)21-11-7-20(26)8-12-21/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3
InChIKeyUOWBTACZCZJHMM-UHFFFAOYSA-N
XLogP5.74
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.03
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline 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-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline (CID 11248140) is N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline is CN(CCSc1ncc(CN(C)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is UOWBTACZCZJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4S/c1-28(16-18-3-4-18)13-14-31-24-27-15-23(30(24)22-9-5-19(25)6-10-22)17-29(2)21-11-7-20(26)8-12-21/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline?
N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 459.03 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-2-[2-[cyclopropylmethyl(methyl)amino]ethylsulfanyl]imidazol-4-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 11248140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).