2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole

C27H23ClFN3O — CID 11294125

IUPAC2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole
SMILESCn1c(COCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc2ccccc21
InChIInChI=1S/C27H23ClFN3O/c1-31-25(15-20-4-2-3-5-26(20)31)18-33-17-23-16-32(24-12-8-21(28)9-13-24)27(30-23)14-19-6-10-22(29)11-7-19/h2-13,15-16H,14,17-18H2,1H3
InChIKeyQWJPHEMGUCZYMT-UHFFFAOYSA-N
MW459.95 g/mol
LogP6.46
Rot. Bonds7

About 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole

2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole (PubChem CID 11294125) has the molecular formula C27H23ClFN3O and a molecular weight of 459.95 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole
PubChem CID11294125
Molecular FormulaC27H23ClFN3O
Molecular Weight459.95 g/mol
Exact Mass459.15
IUPAC Name2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole
SMILESCn1c(COCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc2ccccc21
InChIInChI=1S/C27H23ClFN3O/c1-31-25(15-20-4-2-3-5-26(20)31)18-33-17-23-16-32(24-12-8-21(28)9-13-24)27(30-23)14-19-6-10-22(29)11-7-19/h2-13,15-16H,14,17-18H2,1H3
InChIKeyQWJPHEMGUCZYMT-UHFFFAOYSA-N
XLogP6.46
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.95
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole with MolForge

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Related Compounds

N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline
CID 11329313
N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 69232263
[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
CID 11281595
N-[(1-methylindol-2-yl)methoxy]methanamine
CID 90266880
1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]-4-thiophen-2-ylimidazole
CID 11417701
1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1H-imidazol-2-yl)imidazole
CID 11429015
1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine
CID 11292039
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole
CID 11682421
1-methyl-2-propylindole
CID 13170349

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole (CID 11294125) is 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole is Cn1c(COCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc2ccccc21.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole?
The InChIKey is QWJPHEMGUCZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O/c1-31-25(15-20-4-2-3-5-26(20)31)18-33-17-23-16-32(24-12-8-21(28)9-13-24)27(30-23)14-19-6-10-22(29)11-7-19/h2-13,15-16H,14,17-18H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole?
2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole has a molecular weight of 459.95 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole is sourced from PubChem (CID 11294125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).