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

C24H24Cl3F2N3 — CID 45273702

IUPACN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3F2N3/c25-16-7-5-15(6-8-16)24-23(20-10-9-17(26)11-21(20)27)31-22(32(24)19(12-28)13-29)14-30-18-3-1-2-4-18/h5-11,18-19,30H,1-4,12-14H2
InChIKeyBTXIRBDWKHJOBL-UHFFFAOYSA-N
MW498.83 g/mol
LogP7.69
Rot. Bonds8

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

N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 45273702) has the molecular formula C24H24Cl3F2N3 and a molecular weight of 498.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine
PubChem CID45273702
Molecular FormulaC24H24Cl3F2N3
Molecular Weight498.83 g/mol
Exact Mass497.10
IUPAC NameN-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine
SMILESFCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3F2N3/c25-16-7-5-15(6-8-16)24-23(20-10-9-17(26)11-21(20)27)31-22(32(24)19(12-28)13-29)14-30-18-3-1-2-4-18/h5-11,18-19,30H,1-4,12-14H2
InChIKeyBTXIRBDWKHJOBL-UHFFFAOYSA-N
XLogP7.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.83
LogP ≤ 57.69
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-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine (CID 45273702) is N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine is FCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is BTXIRBDWKHJOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3F2N3/c25-16-7-5-15(6-8-16)24-23(20-10-9-17(26)11-21(20)27)31-22(32(24)19(12-28)13-29)14-30-18-3-1-2-4-18/h5-11,18-19,30H,1-4,12-14H2.
What are the key properties of N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 498.83 g/mol, XLogP of 7.69, 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-(1,3-difluoropropan-2-yl)imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45273702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).