1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole

C27H25ClFN3 — CID 24745175

IUPAC1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
SMILESFc1ccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1
InChIInChI=1S/C27H25ClFN3/c28-25-11-7-23(8-12-25)27(32-18-15-30-20-32,24-9-13-26(29)14-10-24)22-5-3-21(4-6-22)19-31-16-1-2-17-31/h3-15,18,20H,1-2,16-17,19H2
InChIKeyXMDSHDUITWWPPB-UHFFFAOYSA-N
MW445.97 g/mol
LogP6.11
Rot. Bonds6

About 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole

1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole (PubChem CID 24745175) has the molecular formula C27H25ClFN3 and a molecular weight of 445.97 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
PubChem CID24745175
Molecular FormulaC27H25ClFN3
Molecular Weight445.97 g/mol
Exact Mass445.17
IUPAC Name1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
SMILESFc1ccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1
InChIInChI=1S/C27H25ClFN3/c28-25-11-7-23(8-12-25)27(32-18-15-30-20-32,24-9-13-26(29)14-10-24)22-5-3-21(4-6-22)19-31-16-1-2-17-31/h3-15,18,20H,1-2,16-17,19H2
InChIKeyXMDSHDUITWWPPB-UHFFFAOYSA-N
XLogP6.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.97
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]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

1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 69499485
1-[(3-chlorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]-thiophen-2-ylmethyl]imidazole
CID 24806440
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 71168693
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 69082730
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole (CID 24745175) is 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole is Fc1ccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The InChIKey is XMDSHDUITWWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3/c28-25-11-7-23(8-12-25)27(32-18-15-30-20-32,24-9-13-26(29)14-10-24)22-5-3-21(4-6-22)19-31-16-1-2-17-31/h3-15,18,20H,1-2,16-17,19H2.
What are the key properties of 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole has a molecular weight of 445.97 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 24745175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).