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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-ylmethyl)piperazine
CID 157420167
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11449605
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45249520
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45188344
2-[1-[2-[bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-3-yl]acetic acid
CID 10476538
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668

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).