5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole

C101H120Cl2N16O3S — CID 159904843

IUPAC5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1-c1ccccc1.CC(C)c1ncn(C)c1-c1ccc(Cl)cc1.CC(C)c1nocc1-c1ccc(Cl)cc1.COc1ccc(-n2ccnc2C(C)C)cc1.COc1ccccc1Cn1ccnc1C(C)C.Cc1ccccc1-c1scnc1C(C)C.Cc1nnc(C(C)C)n1-c1ccccc1.Cc1nnc(C(C)C)n1-c1ccccc1
InChIInChI=1S/C14H18N2O.C13H15ClN2.C13H16N2O.C13H15NS.C12H12ClNO.2C12H15N3.C12H14N2/c1-11(2)14-15-8-9-16(14)10-12-6-4-5-7-13(12)17-3;1-9(2)12-13(16(3)8-15-12)10-4-6-11(14)7-5-10;1-10(2)13-14-8-9-15(13)11-4-6-12(16-3)7-5-11;1-9(2)12-13(15-8-14-12)11-7-5-4-6-10(11)3;1-8(2)12-11(7-15-14-12)9-3-5-10(13)6-4-9;2*1-9(2)12-14-13-10(3)15(12)11-7-5-4-6-8-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11/h4-9,11H,10H2,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3
InChIKeyNWKYTPLJFPOABJ-UHFFFAOYSA-N
MW1709.15 g/mol
LogP26.69
Rot. Bonds19

About 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole

5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole (PubChem CID 159904843) has the molecular formula C101H120Cl2N16O3S and a molecular weight of 1709.15 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
PubChem CID159904843
Molecular FormulaC101H120Cl2N16O3S
Molecular Weight1709.15 g/mol
Exact Mass1706.88
IUPAC Name5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1-c1ccccc1.CC(C)c1ncn(C)c1-c1ccc(Cl)cc1.CC(C)c1nocc1-c1ccc(Cl)cc1.COc1ccc(-n2ccnc2C(C)C)cc1.COc1ccccc1Cn1ccnc1C(C)C.Cc1ccccc1-c1scnc1C(C)C.Cc1nnc(C(C)C)n1-c1ccccc1.Cc1nnc(C(C)C)n1-c1ccccc1
InChIInChI=1S/C14H18N2O.C13H15ClN2.C13H16N2O.C13H15NS.C12H12ClNO.2C12H15N3.C12H14N2/c1-11(2)14-15-8-9-16(14)10-12-6-4-5-7-13(12)17-3;1-9(2)12-13(16(3)8-15-12)10-4-6-11(14)7-5-10;1-10(2)13-14-8-9-15(13)11-4-6-12(16-3)7-5-11;1-9(2)12-13(15-8-14-12)11-7-5-4-6-10(11)3;1-8(2)12-11(7-15-14-12)9-3-5-10(13)6-4-9;2*1-9(2)12-14-13-10(3)15(12)11-7-5-4-6-8-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11/h4-9,11H,10H2,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3
InChIKeyNWKYTPLJFPOABJ-UHFFFAOYSA-N
XLogP26.69
TPSA190.08 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.15
LogP ≤ 526.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole with MolForge

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Related Compounds

5-(4-Chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-(3-methylbutyl)-2-propan-2-ylimidazole;2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole;5-(4-methylphenyl)-4-propan-2-yl-1,3-oxazole;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;1-phenyl-5-propan-2-yltriazole
CID 157427189
4-(4-Chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
CID 161248671
5-(4-Chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(4-chlorophenyl)-4-propan-2-yl-1,3-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-(3-methylbutyl)-2-propan-2-ylimidazole;2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;1-phenyl-5-propan-2-yltriazole
CID 161515785

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole (CID 159904843) is 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole is CC(C)c1nccn1-c1ccccc1.CC(C)c1ncn(C)c1-c1ccc(Cl)cc1.CC(C)c1nocc1-c1ccc(Cl)cc1.COc1ccc(-n2ccnc2C(C)C)cc1.COc1ccccc1Cn1ccnc1C(C)C.Cc1ccccc1-c1scnc1C(C)C.Cc1nnc(C(C)C)n1-c1ccccc1.Cc1nnc(C(C)C)n1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?
The InChIKey is NWKYTPLJFPOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H15ClN2.C13H16N2O.C13H15NS.C12H12ClNO.2C12H15N3.C12H14N2/c1-11(2)14-15-8-9-16(14)10-12-6-4-5-7-13(12)17-3;1-9(2)12-13(16(3)8-15-12)10-4-6-11(14)7-5-10;1-10(2)13-14-8-9-15(13)11-4-6-12(16-3)7-5-11;1-9(2)12-13(15-8-14-12)11-7-5-4-6-10(11)3;1-8(2)12-11(7-15-14-12)9-3-5-10(13)6-4-9;2*1-9(2)12-14-13-10(3)15(12)11-7-5-4-6-8-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11/h4-9,11H,10H2,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?
5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole has a molecular weight of 1709.15 g/mol, XLogP of 26.69, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-4-propan-2-ylimidazole;4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole is sourced from PubChem (CID 159904843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).