6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol

C117H142Cl2F5N19O — CID 158841885

About 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol

6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol (PubChem CID 158841885) has the molecular formula C117H142Cl2F5N19O and a molecular weight of 1996.45 g/mol. Its IUPAC name is 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol.

Molecular Properties

• Compound Name: 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol
• PubChem CID: 158841885
• Molecular Formula: C117H142Cl2F5N19O
• Molecular Weight: 1996.45 g/mol
• Exact Mass: 1994.09
• IUPAC Name: 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol
• SMILES: CCC1CN(c2nc3ccc(Cl)cc3n2Cc2ccc(F)c(Cl)c2)C1.CC[C@H](N)c1cc(C)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(CN2CCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cccc32)cc(C)c1F.Cc1cc(Cn2c(N3CCCCC3)nc3c(CO)cccc32)ccc1F
• InChI: InChI=1S/C27H35FN4.C26H33FN4.C24H32FN5.C21H24FN3O.C19H18Cl2FN3/c1-19-13-23(18-30-9-7-8-10-30)26-24(14-19)32(27(29-26)31-11-5-4-6-12-31)17-22-15-20(2)25(28)21(3)16-22;1-19-15-21(16-20(2)24(19)27)17-31-23-10-8-9-22(18-29-11-6-7-12-29)25(23)28-26(31)30-13-4-3-5-14-30;1-5-20(26)19-10-15(2)11-21-23(19)28-24(29-8-6-27-7-9-29)30(21)14-18-12-16(3)22(25)17(4)13-18;1-15-12-16(8-9-18(15)22)13-25-19-7-5-6-17(14-26)20(19)23-21(25)24-10-3-2-4-11-24;1-2-12-9-24(10-12)19-23-17-6-4-14(20)8-18(17)25(19)11-13-3-5-16(22)15(21)7-13/h13-16H,4-12,17-18H2,1-3H3;8-10,15-16H,3-7,11-14,17-18H2,1-2H3;10-13,20,27H,5-9,14,26H2,1-4H3;5-9,12,26H,2-4,10-11,13-14H2,1H3;3-8,12H,2,9-11H2,1H3/t;;20-;;/m..0../s1
• InChIKey: IYIRLBDSPBSMDL-XWDRMEJXSA-N
• XLogP: 24.52
• TPSA: 170.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.45
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol?

The IUPAC name of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol (CID 158841885) is 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol.

What is the SMILES notation for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol?

The canonical SMILES for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol is CCC1CN(c2nc3ccc(Cl)cc3n2Cc2ccc(F)c(Cl)c2)C1.CC[C@H](N)c1cc(C)cc2c1nc(N1CCNCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(CN2CCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cccc32)cc(C)c1F.Cc1cc(Cn2c(N3CCCCC3)nc3c(CO)cccc32)ccc1F.

What is the InChIKey of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol?

The InChIKey is IYIRLBDSPBSMDL-XWDRMEJXSA-N. The full InChI is InChI=1S/C27H35FN4.C26H33FN4.C24H32FN5.C21H24FN3O.C19H18Cl2FN3/c1-19-13-23(18-30-9-7-8-10-30)26-24(14-19)32(27(29-26)31-11-5-4-6-12-31)17-22-15-20(2)25(28)21(3)16-22;1-19-15-21(16-20(2)24(19)27)17-31-23-10-8-9-22(18-29-11-6-7-12-29)25(23)28-26(31)30-13-4-3-5-14-30;1-5-20(26)19-10-15(2)11-21-23(19)28-24(29-8-6-27-7-9-29)30(21)14-18-12-16(3)22(25)17(4)13-18;1-15-12-16(8-9-18(15)22)13-25-19-7-5-6-17(14-26)20(19)23-21(25)24-10-3-2-4-11-24;1-2-12-9-24(10-12)19-23-17-6-4-14(20)8-18(17)25(19)11-13-3-5-16(22)15(21)7-13/h13-16H,4-12,17-18H2,1-3H3;8-10,15-16H,3-7,11-14,17-18H2,1-2H3;10-13,20,27H,5-9,14,26H2,1-4H3;5-9,12,26H,2-4,10-11,13-14H2,1H3;3-8,12H,2,9-11H2,1H3/t;;20-;;/m..0../s1.

What are the key properties of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol?

6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol has a molecular weight of 1996.45 g/mol, XLogP of 24.52, 23 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(3-ethylazetidin-1-yl)benzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;[1-[(4-fluoro-3-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol is sourced from PubChem (CID 158841885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).