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

C25H28Cl3N3 — CID 45270202

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESCC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H28Cl3N3/c1-16(2)15-31-23(14-29-20-5-3-4-6-20)30-24(21-12-11-19(27)13-22(21)28)25(31)17-7-9-18(26)10-8-17/h7-13,16,20,29H,3-6,14-15H2,1-2H3
InChIKeyOFILQCHYCUDDFI-UHFFFAOYSA-N
MW476.88 g/mol
LogP7.87
Rot. Bonds7

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

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45270202) has the molecular formula C25H28Cl3N3 and a molecular weight of 476.88 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine
PubChem CID45270202
Molecular FormulaC25H28Cl3N3
Molecular Weight476.88 g/mol
Exact Mass475.13
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESCC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H28Cl3N3/c1-16(2)15-31-23(14-29-20-5-3-4-6-20)30-24(21-12-11-19(27)13-22(21)28)25(31)17-7-9-18(26)10-8-17/h7-13,16,20,29H,3-6,14-15H2,1-2H3
InChIKeyOFILQCHYCUDDFI-UHFFFAOYSA-N
XLogP7.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 57.87
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-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine (CID 45270202) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine is CC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is OFILQCHYCUDDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl3N3/c1-16(2)15-31-23(14-29-20-5-3-4-6-20)30-24(21-12-11-19(27)13-22(21)28)25(31)17-7-9-18(26)10-8-17/h7-13,16,20,29H,3-6,14-15H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 476.88 g/mol, XLogP of 7.87, 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-methylpropyl)imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45270202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).