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

C23H24Cl3N3 — CID 45268503

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine
SMILESCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl3N3/c1-2-29-21(14-27-18-5-3-4-6-18)28-22(19-12-11-17(25)13-20(19)26)23(29)15-7-9-16(24)10-8-15/h7-13,18,27H,2-6,14H2,1H3
InChIKeyZKQDFEQENOGYCU-UHFFFAOYSA-N
MW448.83 g/mol
LogP7.23
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45268503) has the molecular formula C23H24Cl3N3 and a molecular weight of 448.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine
PubChem CID45268503
Molecular FormulaC23H24Cl3N3
Molecular Weight448.83 g/mol
Exact Mass447.10
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine
SMILESCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl3N3/c1-2-29-21(14-27-18-5-3-4-6-18)28-22(19-12-11-17(25)13-20(19)26)23(29)15-7-9-16(24)10-8-15/h7-13,18,27H,2-6,14H2,1H3
InChIKeyZKQDFEQENOGYCU-UHFFFAOYSA-N
XLogP7.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.83
LogP ≤ 57.23
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-ethylimidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine (CID 45268503) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine is CCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is ZKQDFEQENOGYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3N3/c1-2-29-21(14-27-18-5-3-4-6-18)28-22(19-12-11-17(25)13-20(19)26)23(29)15-7-9-16(24)10-8-15/h7-13,18,27H,2-6,14H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 448.83 g/mol, XLogP of 7.23, 6 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-ethylimidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45268503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).