tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

C123H138F4N14O12 — CID 158582850

About tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 158582850) has the molecular formula C123H138F4N14O12 and a molecular weight of 2080.53 g/mol. Its IUPAC name is tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 158582850
• Molecular Formula: C123H138F4N14O12
• Molecular Weight: 2080.53 g/mol
• Exact Mass: 2079.06
• IUPAC Name: tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.COCCn1c(C2CCN(C(=O)c3ccc(OCc4cccc(F)c4)c(CO)c3)CC2)nc2ccccc21.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1
• InChI: InChI=1S/C32H34FN3O4.C30H32FN3O4.C24H28FN3O2.C20H21FN2.C17H23N3O2/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27;1-37-16-15-34-27-8-3-2-7-26(27)32-29(34)22-11-13-33(14-12-22)30(36)23-9-10-28(24(18-23)19-35)38-20-21-5-4-6-25(31)17-21;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16;1-17(2,3)22-16(21)20-10-8-12(9-11-20)15-18-13-6-4-5-7-14(13)19-15/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2;2-10,17-18,22,35H,11-16,19-20H2,1H3;4-10,15,18H,11-14,16H2,1-3H3;4-7,10-13,16H,1-3,8-9,14H2;4-7,12H,8-11H2,1-3H3,(H,18,19)
• InChIKey: HTLSENCTKYGAMH-UHFFFAOYSA-N
• XLogP: 24.65
• TPSA: 277.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.53
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (CID 158582850) is tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.COCCn1c(C2CCN(C(=O)c3ccc(OCc4cccc(F)c4)c(CO)c3)CC2)nc2ccccc21.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1.

What is the InChIKey of tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is HTLSENCTKYGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4.C30H32FN3O4.C24H28FN3O2.C20H21FN2.C17H23N3O2/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27;1-37-16-15-34-27-8-3-2-7-26(27)32-29(34)22-11-13-33(14-12-22)30(36)23-9-10-28(24(18-23)19-35)38-20-21-5-4-6-25(31)17-21;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16;1-17(2,3)22-16(21)20-10-8-12(9-11-20)15-18-13-6-4-5-7-14(13)19-15/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2;2-10,17-18,22,35H,11-16,19-20H2,1H3;4-10,15,18H,11-14,16H2,1-3H3;4-7,10-13,16H,1-3,8-9,14H2;4-7,12H,8-11H2,1-3H3,(H,18,19).

What are the key properties of tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?

tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 2080.53 g/mol, XLogP of 24.65, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 158582850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).