N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine

C26H30Cl3N3 — CID 45269372

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H30Cl3N3/c1-3-21(4-2)32-24(16-30-20-7-5-6-8-20)31-25(22-14-13-19(28)15-23(22)29)26(32)17-9-11-18(27)12-10-17/h9-15,20-21,30H,3-8,16H2,1-2H3
InChIKeyNDWHYFJYVYBEIV-UHFFFAOYSA-N
MW490.91 g/mol
LogP8.57
Rot. Bonds8

About N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45269372) has the molecular formula C26H30Cl3N3 and a molecular weight of 490.91 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine
PubChem CID45269372
Molecular FormulaC26H30Cl3N3
Molecular Weight490.91 g/mol
Exact Mass489.15
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine
SMILESCCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H30Cl3N3/c1-3-21(4-2)32-24(16-30-20-7-5-6-8-20)31-25(22-14-13-19(28)15-23(22)29)26(32)17-9-11-18(27)12-10-17/h9-15,20-21,30H,3-8,16H2,1-2H3
InChIKeyNDWHYFJYVYBEIV-UHFFFAOYSA-N
XLogP8.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 58.57
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-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine (CID 45269372) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine is CCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is NDWHYFJYVYBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl3N3/c1-3-21(4-2)32-24(16-30-20-7-5-6-8-20)31-25(22-14-13-19(28)15-23(22)29)26(32)17-9-11-18(27)12-10-17/h9-15,20-21,30H,3-8,16H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 490.91 g/mol, XLogP of 8.57, 8 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-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45269372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).