N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine

C102H119Cl3F4N16O3 — CID 160841561

About N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine

N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine (PubChem CID 160841561) has the molecular formula C102H119Cl3F4N16O3 and a molecular weight of 1799.53 g/mol. Its IUPAC name is N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine
• PubChem CID: 160841561
• Molecular Formula: C102H119Cl3F4N16O3
• Molecular Weight: 1799.53 g/mol
• Exact Mass: 1796.87
• IUPAC Name: N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine
• SMILES: Cc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4OC(C)C)cc(Cl)cc32)cc(C)c1F.Cc1cc(OCC2CCCCC2)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OCCN)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1
• InChI: InChI=1S/C29H32ClFN4O.C26H24Cl2FN3.C26H35FN4O.C21H28FN5O/c1-18(2)36-26-8-6-5-7-23(26)24-15-22(30)16-25-28(24)33-29(34-11-9-32-10-12-34)35(25)17-21-13-19(3)27(31)20(4)14-21;1-17-13-20(19-7-3-4-8-21(19)27)25-24(14-17)32(16-18-9-10-23(29)22(28)15-18)26(30-25)31-11-5-2-6-12-31;1-17-11-22-25(23(12-17)32-16-20-7-5-4-6-8-20)30-26(29-10-9-28)31(22)15-21-13-18(2)24(27)19(3)14-21;1-13-8-17-20(18(9-13)28-7-5-24)26-21(25-6-4-23)27(17)12-16-10-14(2)19(22)15(3)11-16/h5-8,13-16,18,32H,9-12,17H2,1-4H3;3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;11-14,20H,4-10,15-16,28H2,1-3H3,(H,29,30);8-11H,4-7,12,23-24H2,1-3H3,(H,25,26)
• InChIKey: SICIDTRJIFCADU-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 219.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1799.53
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine?

The IUPAC name of N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine (CID 160841561) is N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine?

The canonical SMILES for N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine is Cc1cc(-c2ccccc2Cl)c2nc(N3CCCCC3)n(Cc3ccc(F)c(Cl)c3)c2c1.Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4OC(C)C)cc(Cl)cc32)cc(C)c1F.Cc1cc(OCC2CCCCC2)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OCCN)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1.

What is the InChIKey of N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine?

The InChIKey is SICIDTRJIFCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClFN4O.C26H24Cl2FN3.C26H35FN4O.C21H28FN5O/c1-18(2)36-26-8-6-5-7-23(26)24-15-22(30)16-25-28(24)33-29(34-11-9-32-10-12-34)35(25)17-21-13-19(3)27(31)20(4)14-21;1-17-13-20(19-7-3-4-8-21(19)27)25-24(14-17)32(16-18-9-10-23(29)22(28)15-18)26(30-25)31-11-5-2-6-12-31;1-17-11-22-25(23(12-17)32-16-20-7-5-4-6-8-20)30-26(29-10-9-28)31(22)15-21-13-18(2)24(27)19(3)14-21;1-13-8-17-20(18(9-13)28-7-5-24)26-21(25-6-4-23)27(17)12-16-10-14(2)19(22)15(3)11-16/h5-8,13-16,18,32H,9-12,17H2,1-4H3;3-4,7-10,13-15H,2,5-6,11-12,16H2,1H3;11-14,20H,4-10,15-16,28H2,1-3H3,(H,29,30);8-11H,4-7,12,23-24H2,1-3H3,(H,25,26).

What are the key properties of N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine?

N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine has a molecular weight of 1799.53 g/mol, XLogP of 22.19, 26 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-(2-aminoethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;N'-[4-(cyclohexylmethoxy)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 160841561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).