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

C22H22Cl3N3 — CID 45271014

IUPACN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl3N3/c1-28-20(13-26-17-4-2-3-5-17)27-21(14-6-8-15(23)9-7-14)22(28)18-11-10-16(24)12-19(18)25/h6-12,17,26H,2-5,13H2,1H3
InChIKeyXOHSYVVYPQWYLA-UHFFFAOYSA-N
MW434.80 g/mol
LogP6.75
Rot. Bonds5

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

N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45271014) has the molecular formula C22H22Cl3N3 and a molecular weight of 434.80 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine
PubChem CID45271014
Molecular FormulaC22H22Cl3N3
Molecular Weight434.80 g/mol
Exact Mass433.09
IUPAC NameN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl3N3/c1-28-20(13-26-17-4-2-3-5-17)27-21(14-6-8-15(23)9-7-14)22(28)18-11-10-16(24)12-19(18)25/h6-12,17,26H,2-5,13H2,1H3
InChIKeyXOHSYVVYPQWYLA-UHFFFAOYSA-N
XLogP6.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine (CID 45271014) is N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine is Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is XOHSYVVYPQWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N3/c1-28-20(13-26-17-4-2-3-5-17)27-21(14-6-8-15(23)9-7-14)22(28)18-11-10-16(24)12-19(18)25/h6-12,17,26H,2-5,13H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine?
N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 434.80 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).