1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid

C144H161ClF6N24O18 — CID 159807199

IUPAC1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1cc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2cc1F.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CCC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C26H31FN4O3.C25H29ClN4O3.C25H29FN4O3.C23H23F3N4O3.C23H25FN4O3.C22H24N4O3/c1-16-12-22-23(14-21(16)27)30-26(29-22)18-4-7-24(28-15-18)31-10-8-20(9-11-31)34-19-5-2-17(3-6-19)13-25(32)33;1-25(24(31)32)10-6-18(7-11-25)33-19-8-12-30(13-9-19)22-5-2-16(15-27-22)23-28-20-4-3-17(26)14-21(20)29-23;26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32;24-23(25,26)15-2-3-17-18(11-15)29-20(28-17)14-1-4-19(27-12-14)30-9-5-16(6-10-30)33-13-22(7-8-22)21(31)32;24-16-3-4-18-19(12-16)27-21(26-18)15-2-5-20(25-13-15)28-10-6-17(7-11-28)31-14-23(22(29)30)8-1-9-23;27-21(28)22(9-10-22)14-29-16-7-11-26(12-8-16)19-6-5-15(13-23-19)20-24-17-3-1-2-4-18(17)25-20/h4,7,12,14-15,17,19-20H,2-3,5-6,8-11,13H2,1H3,(H,29,30)(H,32,33);2-5,14-15,18-19H,6-13H2,1H3,(H,28,29)(H,31,32);3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32);1-4,11-12,16H,5-10,13H2,(H,28,29)(H,31,32);2-5,12-13,17H,1,6-11,14H2,(H,26,27)(H,29,30);1-6,13,16H,7-12,14H2,(H,24,25)(H,27,28)
InChIKeyNKNZVADYZNQDSB-UHFFFAOYSA-N
MW2665.46 g/mol
LogP27.14
Rot. Bonds35

About 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid

1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 159807199) has the molecular formula C144H161ClF6N24O18 and a molecular weight of 2665.46 g/mol. Its IUPAC name is 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID159807199
Molecular FormulaC144H161ClF6N24O18
Molecular Weight2665.46 g/mol
Exact Mass2663.20
IUPAC Name1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1cc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2cc1F.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CCC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C26H31FN4O3.C25H29ClN4O3.C25H29FN4O3.C23H23F3N4O3.C23H25FN4O3.C22H24N4O3/c1-16-12-22-23(14-21(16)27)30-26(29-22)18-4-7-24(28-15-18)31-10-8-20(9-11-31)34-19-5-2-17(3-6-19)13-25(32)33;1-25(24(31)32)10-6-18(7-11-25)33-19-8-12-30(13-9-19)22-5-2-16(15-27-22)23-28-20-4-3-17(26)14-21(20)29-23;26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32;24-23(25,26)15-2-3-17-18(11-15)29-20(28-17)14-1-4-19(27-12-14)30-9-5-16(6-10-30)33-13-22(7-8-22)21(31)32;24-16-3-4-18-19(12-16)27-21(26-18)15-2-5-20(25-13-15)28-10-6-17(7-11-28)31-14-23(22(29)30)8-1-9-23;27-21(28)22(9-10-22)14-29-16-7-11-26(12-8-16)19-6-5-15(13-23-19)20-24-17-3-1-2-4-18(17)25-20/h4,7,12,14-15,17,19-20H,2-3,5-6,8-11,13H2,1H3,(H,29,30)(H,32,33);2-5,14-15,18-19H,6-13H2,1H3,(H,28,29)(H,31,32);3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32);1-4,11-12,16H,5-10,13H2,(H,28,29)(H,31,32);2-5,12-13,17H,1,6-11,14H2,(H,26,27)(H,29,30);1-6,13,16H,7-12,14H2,(H,24,25)(H,27,28)
InChIKeyNKNZVADYZNQDSB-UHFFFAOYSA-N
XLogP27.14
TPSA548.04 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.46
LogP ≤ 527.14
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;3-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;1-[[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;4-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid;3-[1-[5-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;1-[[1-[5-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid
CID 158558024
4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;4-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid
CID 159713268
1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;2-[4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 160375240
2,2-dimethyl-3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypropanoic acid;ethyl 4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylate;4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid;4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;methyl 3-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoate;methyl 3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoate;1-methyl-4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
CID 161546815
4-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid;4-[[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]oxane-4-carboxylic acid;3-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;3-[1-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;3-[1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[1-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]oxypropanoic acid;2-[3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutyl]acetic acid;2-[3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutyl]acetic acid
CID 161719757

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid (CID 159807199) is 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid is CC1(C(=O)O)CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1.Cc1cc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2cc1F.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CCC1.O=C(O)C1(COC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1.
What is the InChIKey of 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is NKNZVADYZNQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3.C25H29ClN4O3.C25H29FN4O3.C23H23F3N4O3.C23H25FN4O3.C22H24N4O3/c1-16-12-22-23(14-21(16)27)30-26(29-22)18-4-7-24(28-15-18)31-10-8-20(9-11-31)34-19-5-2-17(3-6-19)13-25(32)33;1-25(24(31)32)10-6-18(7-11-25)33-19-8-12-30(13-9-19)22-5-2-16(15-27-22)23-28-20-4-3-17(26)14-21(20)29-23;26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32;24-23(25,26)15-2-3-17-18(11-15)29-20(28-17)14-1-4-19(27-12-14)30-9-5-16(6-10-30)33-13-22(7-8-22)21(31)32;24-16-3-4-18-19(12-16)27-21(26-18)15-2-5-20(25-13-15)28-10-6-17(7-11-28)31-14-23(22(29)30)8-1-9-23;27-21(28)22(9-10-22)14-29-16-7-11-26(12-8-16)19-6-5-15(13-23-19)20-24-17-3-1-2-4-18(17)25-20/h4,7,12,14-15,17,19-20H,2-3,5-6,8-11,13H2,1H3,(H,29,30)(H,32,33);2-5,14-15,18-19H,6-13H2,1H3,(H,28,29)(H,31,32);3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32);1-4,11-12,16H,5-10,13H2,(H,28,29)(H,31,32);2-5,12-13,17H,1,6-11,14H2,(H,26,27)(H,29,30);1-6,13,16H,7-12,14H2,(H,24,25)(H,27,28).
What are the key properties of 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid?
1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 2665.46 g/mol, XLogP of 27.14, 35 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid;4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1-methylcyclohexane-1-carboxylic acid;2-[4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclobutane-1-carboxylic acid;2-[4-[1-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid;1-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159807199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).