5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole

C23H25Cl2N3 — CID 10295263

IUPAC5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole
SMILESClc1ccc(C(CN2CCC(CCc3cnc[nH]3)C2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25Cl2N3/c24-20-6-2-18(3-7-20)23(19-4-8-21(25)9-5-19)15-28-12-11-17(14-28)1-10-22-13-26-16-27-22/h2-9,13,16-17,23H,1,10-12,14-15H2,(H,26,27)
InChIKeyRNVSSNFHWMOWRB-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.80
Rot. Bonds7

About 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole

5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole (PubChem CID 10295263) has the molecular formula C23H25Cl2N3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole
PubChem CID10295263
Molecular FormulaC23H25Cl2N3
Molecular Weight414.38 g/mol
Exact Mass413.14
IUPAC Name5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole
SMILESClc1ccc(C(CN2CCC(CCc3cnc[nH]3)C2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25Cl2N3/c24-20-6-2-18(3-7-20)23(19-4-8-21(25)9-5-19)15-28-12-11-17(14-28)1-10-22-13-26-16-27-22/h2-9,13,16-17,23H,1,10-12,14-15H2,(H,26,27)
InChIKeyRNVSSNFHWMOWRB-UHFFFAOYSA-N
XLogP5.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole?
The IUPAC name of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole (CID 10295263) is 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole is Clc1ccc(C(CN2CCC(CCc3cnc[nH]3)C2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole?
The InChIKey is RNVSSNFHWMOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3/c24-20-6-2-18(3-7-20)23(19-4-8-21(25)9-5-19)15-28-12-11-17(14-28)1-10-22-13-26-16-27-22/h2-9,13,16-17,23H,1,10-12,14-15H2,(H,26,27).
What are the key properties of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole?
5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole has a molecular weight of 414.38 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole is sourced from PubChem (CID 10295263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).