4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C107H132BrCl3F2N28O6 — CID 160696594

IUPAC4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Br.CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Cl.Cc1cc(C2CCN(CCCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C28H36BrN7O2.C28H36ClN7O2.C26H31ClFN7O.C25H29ClFN7O/c2*1-4-36-17-32-22(26(36)29)6-9-30-21-5-10-31-28(37)24(21)27-33-23-16-20(15-18(2)25(23)34-27)19-7-11-35(12-8-19)13-14-38-3;1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)36)29-8-12-35-16-20(27)15-31-35;1-16-12-18(17-3-8-33(9-4-17)10-5-27)13-21-23(16)32-24(31-21)22-20(2-6-29-25(22)35)28-7-11-34-15-19(26)14-30-34/h2*5,10,15-17,19H,4,6-9,11-14H2,1-3H3,(H,33,34)(H2,30,31,37);3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36);2,6,12-15,17H,3-5,7-11H2,1H3,(H,31,32)(H2,28,29,35)
InChIKeyRQBQBMMUWYFNHX-UHFFFAOYSA-N
MW2130.68 g/mol
LogP18.33
Rot. Bonds37

About 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 160696594) has the molecular formula C107H132BrCl3F2N28O6 and a molecular weight of 2130.68 g/mol. Its IUPAC name is 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID160696594
Molecular FormulaC107H132BrCl3F2N28O6
Molecular Weight2130.68 g/mol
Exact Mass2126.91
IUPAC Name4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Br.CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Cl.Cc1cc(C2CCN(CCCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C28H36BrN7O2.C28H36ClN7O2.C26H31ClFN7O.C25H29ClFN7O/c2*1-4-36-17-32-22(26(36)29)6-9-30-21-5-10-31-28(37)24(21)27-33-23-16-20(15-18(2)25(23)34-27)19-7-11-35(12-8-19)13-14-38-3;1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)36)29-8-12-35-16-20(27)15-31-35;1-16-12-18(17-3-8-33(9-4-17)10-5-27)13-21-23(16)32-24(31-21)22-20(2-6-29-25(22)35)28-7-11-34-15-19(26)14-30-34/h2*5,10,15-17,19H,4,6-9,11-14H2,1-3H3,(H,33,34)(H2,30,31,37);3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36);2,6,12-15,17H,3-5,7-11H2,1H3,(H,31,32)(H2,28,29,35)
InChIKeyRQBQBMMUWYFNHX-UHFFFAOYSA-N
XLogP18.33
TPSA396.98 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.68
LogP ≤ 518.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[6-[1-[(5R)-5-aminooxolan-3-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-chloropyrazol-1-yl)ethylamino]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)-2,2,6,6-tetramethyl-3H-pyridin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)-6-(trifluoromethyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 157788746
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;ethyl 1-[2-[[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-2-oxo-1H-pyridin-4-yl]amino]ethyl]pyrazole-4-carboxylate;methyl 1-[2-[[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-2-oxo-1H-pyridin-4-yl]amino]ethyl]pyrazole-4-carboxylate
CID 158459945
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;bis(4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(4-methoxycyclohexyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one)
CID 160183763
4-[[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoro-2-hydroxypropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 160625014
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 136008447
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one
CID 157149574
4-[2-(4-bromopyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 157886619
2-(8-Chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 159175783
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[4-[2-[4-[2-(5-chloro-1-methylimidazol-4-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate
CID 160185708
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-(1-cyclopropylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3,3-dimethylbutyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;bis(4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(2-methylbutan-2-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one)
CID 160253627
4-[2-[5-chloro-1-(2-fluoroethyl)imidazol-4-yl]ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(1,3-dimethoxypropan-2-yl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 160389535
N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 160752764

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 160696594) is 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Br.CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCOC)CC4)cc3[nH]2)c1Cl.Cc1cc(C2CCN(CCCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is RQBQBMMUWYFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36BrN7O2.C28H36ClN7O2.C26H31ClFN7O.C25H29ClFN7O/c2*1-4-36-17-32-22(26(36)29)6-9-30-21-5-10-31-28(37)24(21)27-33-23-16-20(15-18(2)25(23)34-27)19-7-11-35(12-8-19)13-14-38-3;1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)36)29-8-12-35-16-20(27)15-31-35;1-16-12-18(17-3-8-33(9-4-17)10-5-27)13-21-23(16)32-24(31-21)22-20(2-6-29-25(22)35)28-7-11-34-15-19(26)14-30-34/h2*5,10,15-17,19H,4,6-9,11-14H2,1-3H3,(H,33,34)(H2,30,31,37);3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36);2,6,12-15,17H,3-5,7-11H2,1H3,(H,31,32)(H2,28,29,35).
What are the key properties of 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 2130.68 g/mol, XLogP of 18.33, 37 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(5-chloro-1-ethylimidazol-4-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-fluoroethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 160696594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).