[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride

C98H113Cl4FN16O4 — CID 160932522

IUPAC[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1.Cl.Cn1c(-c2cc(N3CCC(C(=O)N4CCCCC4)CC3)ccc2F)nc2ccccc21.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCC1.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCNCC1
InChIInChI=1S/C25H29ClN4O.C25H29FN4O.C24H28ClN5O.C24H26ClN3O.ClH/c26-22-7-6-20(17-21(22)24-16-19-4-1-2-5-23(19)28-24)29-13-8-18(9-14-29)25(31)30-12-3-10-27-11-15-30;1-28-23-8-4-3-7-22(23)27-24(28)20-17-19(9-10-21(20)26)29-15-11-18(12-16-29)25(31)30-13-5-2-6-14-30;1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23;25-21-8-7-19(16-20(21)23-15-18-5-1-2-6-22(18)26-23)27-13-9-17(10-14-27)24(29)28-11-3-4-12-28;/h1-2,4-7,17-18,27H,3,8-16H2;3-4,7-10,17-18H,2,5-6,11-16H2,1H3;2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27);1-2,5-8,16-17H,3-4,9-15H2;1H
InChIKeyAJNFLOYURLOOSL-UHFFFAOYSA-N
MW1739.90 g/mol
LogP17.81
Rot. Bonds12

About [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride

[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 160932522) has the molecular formula C98H113Cl4FN16O4 and a molecular weight of 1739.90 g/mol. Its IUPAC name is [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID160932522
Molecular FormulaC98H113Cl4FN16O4
Molecular Weight1739.90 g/mol
Exact Mass1736.79
IUPAC Name[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1.Cl.Cn1c(-c2cc(N3CCC(C(=O)N4CCCCC4)CC3)ccc2F)nc2ccccc21.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCC1.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCNCC1
InChIInChI=1S/C25H29ClN4O.C25H29FN4O.C24H28ClN5O.C24H26ClN3O.ClH/c26-22-7-6-20(17-21(22)24-16-19-4-1-2-5-23(19)28-24)29-13-8-18(9-14-29)25(31)30-12-3-10-27-11-15-30;1-28-23-8-4-3-7-22(23)27-24(28)20-17-19(9-10-21(20)26)29-15-11-18(12-16-29)25(31)30-13-5-2-6-14-30;1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23;25-21-8-7-19(16-20(21)23-15-18-5-1-2-6-22(18)26-23)27-13-9-17(10-14-27)24(29)28-11-3-4-12-28;/h1-2,4-7,17-18,27H,3,8-16H2;3-4,7-10,17-18H,2,5-6,11-16H2,1H3;2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27);1-2,5-8,16-17H,3-4,9-15H2;1H
InChIKeyAJNFLOYURLOOSL-UHFFFAOYSA-N
XLogP17.81
TPSA180.69 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.90
LogP ≤ 517.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 67099298
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67099396
[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 66977509
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 159462672
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59568281
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
CID 77225710
4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid
CID 141237512
2-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
CID 53070305
[1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 67099208

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (CID 160932522) is [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride is CN1CCN(C(=O)C2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1.Cl.Cn1c(-c2cc(N3CCC(C(=O)N4CCCCC4)CC3)ccc2F)nc2ccccc21.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCC1.O=C(C1CCN(c2ccc(Cl)c(C3=Nc4ccccc4C3)c2)CC1)N1CCCNCC1.
What is the InChIKey of [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is AJNFLOYURLOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O.C25H29FN4O.C24H28ClN5O.C24H26ClN3O.ClH/c26-22-7-6-20(17-21(22)24-16-19-4-1-2-5-23(19)28-24)29-13-8-18(9-14-29)25(31)30-12-3-10-27-11-15-30;1-28-23-8-4-3-7-22(23)27-24(28)20-17-19(9-10-21(20)26)29-15-11-18(12-16-29)25(31)30-13-5-2-6-14-30;1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23;25-21-8-7-19(16-20(21)23-15-18-5-1-2-6-22(18)26-23)27-13-9-17(10-14-27)24(29)28-11-3-4-12-28;/h1-2,4-7,17-18,27H,3,8-16H2;3-4,7-10,17-18H,2,5-6,11-16H2,1H3;2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27);1-2,5-8,16-17H,3-4,9-15H2;1H.
What are the key properties of [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 1739.90 g/mol, XLogP of 17.81, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 160932522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).