5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole

C100H81Cl4F7N12 — CID 159206675

IUPAC5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole
SMILESCc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1C.Clc1cccc(C(c2ccccc2)c2cnc[nH]2)c1Cl.Fc1c(C(c2ccccc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Fc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F
InChIInChI=1S/C18H18N2.C17H15ClN2.C17H12F4N2.C16H12Cl2N2.C16H12ClFN2.C16H12F2N2/c1-13-7-6-10-16(14(13)2)18(17-11-19-12-20-17)15-8-4-3-5-9-15;1-12-14(8-5-9-15(12)18)17(16-10-19-11-20-16)13-6-3-2-4-7-13;18-16-12(7-4-8-13(16)17(19,20)21)15(14-9-22-10-23-14)11-5-2-1-3-6-11;3*17-13-8-4-7-12(16(13)18)15(14-9-19-10-20-14)11-5-2-1-3-6-11/h3-12,18H,1-2H3,(H,19,20);2-11,17H,1H3,(H,19,20);1-10,15H,(H,22,23);3*1-10,15H,(H,19,20)
InChIKeyKPYZFIFLFMDKHN-UHFFFAOYSA-N
MW1725.63 g/mol
LogP26.65
Rot. Bonds18

About 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole

5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole (PubChem CID 159206675) has the molecular formula C100H81Cl4F7N12 and a molecular weight of 1725.63 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole
PubChem CID159206675
Molecular FormulaC100H81Cl4F7N12
Molecular Weight1725.63 g/mol
Exact Mass1722.53
IUPAC Name5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole
SMILESCc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1C.Clc1cccc(C(c2ccccc2)c2cnc[nH]2)c1Cl.Fc1c(C(c2ccccc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Fc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F
InChIInChI=1S/C18H18N2.C17H15ClN2.C17H12F4N2.C16H12Cl2N2.C16H12ClFN2.C16H12F2N2/c1-13-7-6-10-16(14(13)2)18(17-11-19-12-20-17)15-8-4-3-5-9-15;1-12-14(8-5-9-15(12)18)17(16-10-19-11-20-16)13-6-3-2-4-7-13;18-16-12(7-4-8-13(16)17(19,20)21)15(14-9-22-10-23-14)11-5-2-1-3-6-11;3*17-13-8-4-7-12(16(13)18)15(14-9-19-10-20-14)11-5-2-1-3-6-11/h3-12,18H,1-2H3,(H,19,20);2-11,17H,1H3,(H,19,20);1-10,15H,(H,22,23);3*1-10,15H,(H,19,20)
InChIKeyKPYZFIFLFMDKHN-UHFFFAOYSA-N
XLogP26.65
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.63
LogP ≤ 526.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole
CID 157412552
2-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine
CID 158499669
2-[(3-chloro-2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(3-chloro-2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-chloro-2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine
CID 160809366
5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-3H-pyrrole;5-[(2,3-dichlorophenyl)-phenylmethyl]-3H-pyrrole;5-[(2,3-dimethylphenyl)-phenylmethyl]-3H-pyrrole;5-[(3-fluorophenyl)-phenylmethyl]-3H-pyrrole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-3H-pyrrole;methane;5-[(2-methylphenyl)-phenylmethyl]-3H-pyrrole
CID 161178222
5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 157371422
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
CID 158079066
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-difluorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;5-[1-(2-fluorophenyl)-2-phenylethyl]-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
CID 158990998
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
CID 159924051
4-(cyclopent-3-en-1-ylmethyl)-2-methylidene-1,3-dihydroimidazole;N-[(2,3-dichlorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;methane;5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-pyrrole
CID 160970081
5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole
CID 161079057
4-[(2-Chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole
CID 162100318
5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole
CID 165015969

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole (CID 159206675) is 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole is Cc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1C.Clc1cccc(C(c2ccccc2)c2cnc[nH]2)c1Cl.Fc1c(C(c2ccccc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1c(Cl)cccc1C(c1ccccc1)c1cnc[nH]1.Fc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole?
The InChIKey is KPYZFIFLFMDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.C17H15ClN2.C17H12F4N2.C16H12Cl2N2.C16H12ClFN2.C16H12F2N2/c1-13-7-6-10-16(14(13)2)18(17-11-19-12-20-17)15-8-4-3-5-9-15;1-12-14(8-5-9-15(12)18)17(16-10-19-11-20-16)13-6-3-2-4-7-13;18-16-12(7-4-8-13(16)17(19,20)21)15(14-9-22-10-23-14)11-5-2-1-3-6-11;3*17-13-8-4-7-12(16(13)18)15(14-9-19-10-20-14)11-5-2-1-3-6-11/h3-12,18H,1-2H3,(H,19,20);2-11,17H,1H3,(H,19,20);1-10,15H,(H,22,23);3*1-10,15H,(H,19,20).
What are the key properties of 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole?
5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole has a molecular weight of 1725.63 g/mol, XLogP of 26.65, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole is sourced from PubChem (CID 159206675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).