5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole

C129H146Cl2F6N20O4S — CID 158435338

IUPAC5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole
SMILESCC(C)C1=NC(c2ccc(C(F)(F)F)nc2)=CC1.CC(C)C1=NC(c2ccc(OC(F)(F)F)cc2)=CC1.CC(C)C1=NC(c2cncc(Cl)c2)=CC1.CC(C)c1ncc(-c2ccc(C#N)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.COc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C14H14F3NO.C14H17NO.C14H17N.C13H13F3N2.C13H13N3.C13H16N2O2S.2C12H13ClN2.2C12H15N3/c1-9(2)12-7-8-13(18-12)10-3-5-11(6-4-10)19-14(15,16)17;1-10(2)13-7-8-14(15-13)11-5-4-6-12(9-11)16-3;1-10(2)13-7-8-14(15-13)12-6-4-5-11(3)9-12;1-8(2)10-4-5-11(18-10)9-3-6-12(17-7-9)13(14,15)16;1-9(2)13-15-8-12(16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-8-12(15-13)10-4-6-11(7-5-10)18(3,16)17;1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-3-4-12(15-11)9-5-10(13)7-14-6-9;2*1-8(2)12-14-7-11(15-12)10-4-9(3)5-13-6-10/h3-6,8-9H,7H2,1-2H3;4-6,8-10H,7H2,1-3H3;4-6,8-10H,7H2,1-3H3;3,5-8H,4H2,1-2H3;3-6,8-9H,1-2H3,(H,15,16);4-9H,1-3H3,(H,14,15);3-8H,1-2H3,(H,14,15);4-8H,3H2,1-2H3;2*4-8H,1-3H3,(H,14,15)
InChIKeyHCDRGGRBEKEKPY-UHFFFAOYSA-N
MW2257.68 g/mol
LogP34.65
Rot. Bonds23

About 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole

5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole (PubChem CID 158435338) has the molecular formula C129H146Cl2F6N20O4S and a molecular weight of 2257.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole
PubChem CID158435338
Molecular FormulaC129H146Cl2F6N20O4S
Molecular Weight2257.68 g/mol
Exact Mass2255.08
IUPAC Name5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole
SMILESCC(C)C1=NC(c2ccc(C(F)(F)F)nc2)=CC1.CC(C)C1=NC(c2ccc(OC(F)(F)F)cc2)=CC1.CC(C)C1=NC(c2cncc(Cl)c2)=CC1.CC(C)c1ncc(-c2ccc(C#N)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.COc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C14H14F3NO.C14H17NO.C14H17N.C13H13F3N2.C13H13N3.C13H16N2O2S.2C12H13ClN2.2C12H15N3/c1-9(2)12-7-8-13(18-12)10-3-5-11(6-4-10)19-14(15,16)17;1-10(2)13-7-8-14(15-13)11-5-4-6-12(9-11)16-3;1-10(2)13-7-8-14(15-13)12-6-4-5-11(3)9-12;1-8(2)10-4-5-11(18-10)9-3-6-12(17-7-9)13(14,15)16;1-9(2)13-15-8-12(16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-8-12(15-13)10-4-6-11(7-5-10)18(3,16)17;1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-3-4-12(15-11)9-5-10(13)7-14-6-9;2*1-8(2)12-14-7-11(15-12)10-4-9(3)5-13-6-10/h3-6,8-9H,7H2,1-2H3;4-6,8-10H,7H2,1-3H3;4-6,8-10H,7H2,1-3H3;3,5-8H,4H2,1-2H3;3-6,8-9H,1-2H3,(H,15,16);4-9H,1-3H3,(H,14,15);3-8H,1-2H3,(H,14,15);4-8H,3H2,1-2H3;2*4-8H,1-3H3,(H,14,15)
InChIKeyHCDRGGRBEKEKPY-UHFFFAOYSA-N
XLogP34.65
TPSA333.15 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.68
LogP ≤ 534.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole (CID 158435338) is 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole is CC(C)C1=NC(c2ccc(C(F)(F)F)nc2)=CC1.CC(C)C1=NC(c2ccc(OC(F)(F)F)cc2)=CC1.CC(C)C1=NC(c2cncc(Cl)c2)=CC1.CC(C)c1ncc(-c2ccc(C#N)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.COc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole?
The InChIKey is HCDRGGRBEKEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO.C14H17NO.C14H17N.C13H13F3N2.C13H13N3.C13H16N2O2S.2C12H13ClN2.2C12H15N3/c1-9(2)12-7-8-13(18-12)10-3-5-11(6-4-10)19-14(15,16)17;1-10(2)13-7-8-14(15-13)11-5-4-6-12(9-11)16-3;1-10(2)13-7-8-14(15-13)12-6-4-5-11(3)9-12;1-8(2)10-4-5-11(18-10)9-3-6-12(17-7-9)13(14,15)16;1-9(2)13-15-8-12(16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-8-12(15-13)10-4-6-11(7-5-10)18(3,16)17;1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-3-4-12(15-11)9-5-10(13)7-14-6-9;2*1-8(2)12-14-7-11(15-12)10-4-9(3)5-13-6-10/h3-6,8-9H,7H2,1-2H3;4-6,8-10H,7H2,1-3H3;4-6,8-10H,7H2,1-3H3;3,5-8H,4H2,1-2H3;3-6,8-9H,1-2H3,(H,15,16);4-9H,1-3H3,(H,14,15);3-8H,1-2H3,(H,14,15);4-8H,3H2,1-2H3;2*4-8H,1-3H3,(H,14,15).
What are the key properties of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole?
5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole has a molecular weight of 2257.68 g/mol, XLogP of 34.65, 23 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole is sourced from PubChem (CID 158435338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).