N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine

C23H23Cl3FN3 — CID 45271902

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3FN3/c24-16-7-5-15(6-8-16)23-22(19-10-9-17(25)13-20(19)26)29-21(30(23)12-11-27)14-28-18-3-1-2-4-18/h5-10,13,18,28H,1-4,11-12,14H2
InChIKeyUCJJNWLERDLDDF-UHFFFAOYSA-N
MW466.82 g/mol
LogP7.18
Rot. Bonds7

About N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45271902) has the molecular formula C23H23Cl3FN3 and a molecular weight of 466.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
PubChem CID45271902
Molecular FormulaC23H23Cl3FN3
Molecular Weight466.82 g/mol
Exact Mass465.09
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3FN3/c24-16-7-5-15(6-8-16)23-22(19-10-9-17(25)13-20(19)26)29-21(30(23)12-11-27)14-28-18-3-1-2-4-18/h5-10,13,18,28H,1-4,11-12,14H2
InChIKeyUCJJNWLERDLDDF-UHFFFAOYSA-N
XLogP7.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine (CID 45271902) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine is FCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is UCJJNWLERDLDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3FN3/c24-16-7-5-15(6-8-16)23-22(19-10-9-17(25)13-20(19)26)29-21(30(23)12-11-27)14-28-18-3-1-2-4-18/h5-10,13,18,28H,1-4,11-12,14H2.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 466.82 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45271902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).