6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane

C108H135ClF4N18O — CID 157085047

IUPAC6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane
SMILESC.Cc1cc(C2=CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCN(C)CC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1ccccc1-c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1
InChIInChI=1S/C27H28ClFN4.C27H35FN4O.C27H33FN4.C26H35FN6.CH4/c1-17-6-4-5-7-22(17)23-14-21(28)15-24-26(23)31-27(32-10-8-30-9-11-32)33(24)16-20-12-18(2)25(29)19(3)13-20;1-18-13-23-26(24(14-18)33-22-7-5-4-6-8-22)30-27(31-11-9-29-10-12-31)32(23)17-21-15-19(2)25(28)20(3)16-21;1-18-13-23(22-7-5-4-6-8-22)26-24(14-18)32(27(30-26)31-11-9-29-10-12-31)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(31-11-9-30(4)10-12-31)25-23(14-18)33(26(29-25)32-7-5-28-6-8-32)17-21-15-19(2)24(27)20(3)16-21;/h4-7,12-15,30H,8-11,16H2,1-3H3;13-16,22,29H,4-12,17H2,1-3H3;7,13-16,29H,4-6,8-12,17H2,1-3H3;13-16,28H,5-12,17H2,1-4H3;1H4
InChIKeyADZLVNBNVPMURD-UHFFFAOYSA-N
MW1812.84 g/mol
LogP20.61
Rot. Bonds17

About 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane

6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane (PubChem CID 157085047) has the molecular formula C108H135ClF4N18O and a molecular weight of 1812.84 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane.

Molecular Properties

Compound Name6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane
PubChem CID157085047
Molecular FormulaC108H135ClF4N18O
Molecular Weight1812.84 g/mol
Exact Mass1811.07
IUPAC Name6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane
SMILESC.Cc1cc(C2=CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCN(C)CC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1ccccc1-c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1
InChIInChI=1S/C27H28ClFN4.C27H35FN4O.C27H33FN4.C26H35FN6.CH4/c1-17-6-4-5-7-22(17)23-14-21(28)15-24-26(23)31-27(32-10-8-30-9-11-32)33(24)16-20-12-18(2)25(29)19(3)13-20;1-18-13-23-26(24(14-18)33-22-7-5-4-6-8-22)30-27(31-11-9-29-10-12-31)32(23)17-21-15-19(2)25(28)20(3)16-21;1-18-13-23(22-7-5-4-6-8-22)26-24(14-18)32(27(30-26)31-11-9-29-10-12-31)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(31-11-9-30(4)10-12-31)25-23(14-18)33(26(29-25)32-7-5-28-6-8-32)17-21-15-19(2)24(27)20(3)16-21;/h4-7,12-15,30H,8-11,16H2,1-3H3;13-16,22,29H,4-12,17H2,1-3H3;7,13-16,29H,4-6,8-12,17H2,1-3H3;13-16,28H,5-12,17H2,1-4H3;1H4
InChIKeyADZLVNBNVPMURD-UHFFFAOYSA-N
XLogP20.61
TPSA148.07 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.84
LogP ≤ 520.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane?
The IUPAC name of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane (CID 157085047) is 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane.
What is the SMILES notation for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane?
The canonical SMILES for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane is C.Cc1cc(C2=CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCN(C)CC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1ccccc1-c1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1.
What is the InChIKey of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane?
The InChIKey is ADZLVNBNVPMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN4.C27H35FN4O.C27H33FN4.C26H35FN6.CH4/c1-17-6-4-5-7-22(17)23-14-21(28)15-24-26(23)31-27(32-10-8-30-9-11-32)33(24)16-20-12-18(2)25(29)19(3)13-20;1-18-13-23-26(24(14-18)33-22-7-5-4-6-8-22)30-27(31-11-9-29-10-12-31)32(23)17-21-15-19(2)25(28)20(3)16-21;1-18-13-23(22-7-5-4-6-8-22)26-24(14-18)32(27(30-26)31-11-9-29-10-12-31)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(31-11-9-30(4)10-12-31)25-23(14-18)33(26(29-25)32-7-5-28-6-8-32)17-21-15-19(2)24(27)20(3)16-21;/h4-7,12-15,30H,8-11,16H2,1-3H3;13-16,22,29H,4-12,17H2,1-3H3;7,13-16,29H,4-6,8-12,17H2,1-3H3;13-16,28H,5-12,17H2,1-4H3;1H4.
What are the key properties of 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane?
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane has a molecular weight of 1812.84 g/mol, XLogP of 20.61, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane is sourced from PubChem (CID 157085047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).