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

C23H22Cl3F2N3 — CID 45270203

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3F2N3/c24-15-7-5-14(6-8-15)23-22(18-10-9-16(25)11-19(18)26)30-21(31(23)13-20(27)28)12-29-17-3-1-2-4-17/h5-11,17,20,29H,1-4,12-13H2
InChIKeyPMJQRZTZNLSQAZ-UHFFFAOYSA-N
MW484.81 g/mol
LogP7.47
Rot. Bonds7

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

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45270203) has the molecular formula C23H22Cl3F2N3 and a molecular weight of 484.81 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
PubChem CID45270203
Molecular FormulaC23H22Cl3F2N3
Molecular Weight484.81 g/mol
Exact Mass483.08
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3F2N3/c24-15-7-5-14(6-8-15)23-22(18-10-9-16(25)11-19(18)26)30-21(31(23)13-20(27)28)12-29-17-3-1-2-4-17/h5-11,17,20,29H,1-4,12-13H2
InChIKeyPMJQRZTZNLSQAZ-UHFFFAOYSA-N
XLogP7.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 57.47
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-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine (CID 45270203) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine is FC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is PMJQRZTZNLSQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3F2N3/c24-15-7-5-14(6-8-15)23-22(18-10-9-16(25)11-19(18)26)30-21(31(23)13-20(27)28)12-29-17-3-1-2-4-17/h5-11,17,20,29H,1-4,12-13H2.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 484.81 g/mol, XLogP of 7.47, 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-(2,2-difluoroethyl)imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45270203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).