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

C24H26Cl3N3 — CID 45268504

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3/c1-15(2)30-22(14-28-19-5-3-4-6-19)29-23(20-12-11-18(26)13-21(20)27)24(30)16-7-9-17(25)10-8-16/h7-13,15,19,28H,3-6,14H2,1-2H3
InChIKeyCCBNYIGVRSZDTG-UHFFFAOYSA-N
MW462.85 g/mol
LogP7.79
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45268504) has the molecular formula C24H26Cl3N3 and a molecular weight of 462.85 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
PubChem CID45268504
Molecular FormulaC24H26Cl3N3
Molecular Weight462.85 g/mol
Exact Mass461.12
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3/c1-15(2)30-22(14-28-19-5-3-4-6-19)29-23(20-12-11-18(26)13-21(20)27)24(30)16-7-9-17(25)10-8-16/h7-13,15,19,28H,3-6,14H2,1-2H3
InChIKeyCCBNYIGVRSZDTG-UHFFFAOYSA-N
XLogP7.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 57.79
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-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine (CID 45268504) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine is CC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is CCBNYIGVRSZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl3N3/c1-15(2)30-22(14-28-19-5-3-4-6-19)29-23(20-12-11-18(26)13-21(20)27)24(30)16-7-9-17(25)10-8-16/h7-13,15,19,28H,3-6,14H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 462.85 g/mol, XLogP of 7.79, 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-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45268504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).