6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole

C108H128Cl3F3N16 — CID 158610323

IUPAC6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole
SMILESCC1=NC(C)C(C)=C1c1cc(C)cc2c1nc(N1CCCCC1)n2Cc1ccc(C)c(Cl)c1.Cc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F
InChIInChI=1S/C28H33ClN4.C28H34FN3.C26H29ClFN5.C26H32ClFN4/c1-17-13-23(26-19(3)20(4)30-21(26)5)27-25(14-17)33(16-22-10-9-18(2)24(29)15-22)28(31-27)32-11-7-6-8-12-32;1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h9-10,13-15,20H,6-8,11-12,16H2,1-5H3;10,14-17H,4-9,11-13,18H2,1-3H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3
InChIKeyHWTHWMASFDYXKM-UHFFFAOYSA-N
MW1813.68 g/mol
LogP26.35
Rot. Bonds17

About 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole

6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole (PubChem CID 158610323) has the molecular formula C108H128Cl3F3N16 and a molecular weight of 1813.68 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole
PubChem CID158610323
Molecular FormulaC108H128Cl3F3N16
Molecular Weight1813.68 g/mol
Exact Mass1810.95
IUPAC Name6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole
SMILESCC1=NC(C)C(C)=C1c1cc(C)cc2c1nc(N1CCCCC1)n2Cc1ccc(C)c(Cl)c1.Cc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F
InChIInChI=1S/C28H33ClN4.C28H34FN3.C26H29ClFN5.C26H32ClFN4/c1-17-13-23(26-19(3)20(4)30-21(26)5)27-25(14-17)33(16-22-10-9-18(2)24(29)15-22)28(31-27)32-11-7-6-8-12-32;1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h9-10,13-15,20H,6-8,11-12,16H2,1-5H3;10,14-17H,4-9,11-13,18H2,1-3H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3
InChIKeyHWTHWMASFDYXKM-UHFFFAOYSA-N
XLogP26.35
TPSA117.66 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.68
LogP ≤ 526.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole?
The IUPAC name of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole (CID 158610323) is 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole is CC1=NC(C)C(C)=C1c1cc(C)cc2c1nc(N1CCCCC1)n2Cc1ccc(C)c(Cl)c1.Cc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F.
What is the InChIKey of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole?
The InChIKey is HWTHWMASFDYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4.C28H34FN3.C26H29ClFN5.C26H32ClFN4/c1-17-13-23(26-19(3)20(4)30-21(26)5)27-25(14-17)33(16-22-10-9-18(2)24(29)15-22)28(31-27)32-11-7-6-8-12-32;1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h9-10,13-15,20H,6-8,11-12,16H2,1-5H3;10,14-17H,4-9,11-13,18H2,1-3H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3.
What are the key properties of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole?
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole has a molecular weight of 1813.68 g/mol, XLogP of 26.35, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2,3,5-trimethyl-2H-pyrrol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 158610323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).