4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole

C29H27ClF2N2 — CID 143094788

IUPAC4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole
SMILESCC/C=C(\C)c1nc(-c2ccc(C)cc2Cl)cn1Cc1ccc(-c2cccc(C(F)F)c2)cc1
InChIInChI=1S/C29H27ClF2N2/c1-4-6-20(3)29-33-27(25-14-9-19(2)15-26(25)30)18-34(29)17-21-10-12-22(13-11-21)23-7-5-8-24(16-23)28(31)32/h5-16,18,28H,4,17H2,1-3H3/b20-6+
InChIKeyNPBDVKOHRPEYPA-CGOBSMCZSA-N
MW477.00 g/mol
LogP8.98
Rot. Bonds7

About 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole

4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole (PubChem CID 143094788) has the molecular formula C29H27ClF2N2 and a molecular weight of 477.00 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole
PubChem CID143094788
Molecular FormulaC29H27ClF2N2
Molecular Weight477.00 g/mol
Exact Mass476.18
IUPAC Name4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole
SMILESCC/C=C(\C)c1nc(-c2ccc(C)cc2Cl)cn1Cc1ccc(-c2cccc(C(F)F)c2)cc1
InChIInChI=1S/C29H27ClF2N2/c1-4-6-20(3)29-33-27(25-14-9-19(2)15-26(25)30)18-34(29)17-21-10-12-22(13-11-21)23-7-5-8-24(16-23)28(31)32/h5-16,18,28H,4,17H2,1-3H3/b20-6+
InChIKeyNPBDVKOHRPEYPA-CGOBSMCZSA-N
XLogP8.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.00
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline
CID 143094843
5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 67118447
4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole
CID 141094170
1-(1-fluoroethyl)-3-(4-methylphenyl)benzene
CID 170974914
[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 91450317
4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-2-(3-phenylphenyl)ethenyl]imidazole
CID 141094164
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
CID 67049826
4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol
CID 143094936
4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
CID 67049428
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(3-methylsulfanylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 142933599
4-[[4-(2-chloro-4-fluorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 58231139
methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049558

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole (CID 143094788) is 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole is CC/C=C(\C)c1nc(-c2ccc(C)cc2Cl)cn1Cc1ccc(-c2cccc(C(F)F)c2)cc1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole?
The InChIKey is NPBDVKOHRPEYPA-CGOBSMCZSA-N. The full InChI is InChI=1S/C29H27ClF2N2/c1-4-6-20(3)29-33-27(25-14-9-19(2)15-26(25)30)18-34(29)17-21-10-12-22(13-11-21)23-7-5-8-24(16-23)28(31)32/h5-16,18,28H,4,17H2,1-3H3/b20-6+.
What are the key properties of 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole?
4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole has a molecular weight of 477.00 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole is sourced from PubChem (CID 143094788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).