1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone

C154H166Cl7F9N16O5 — CID 159359768

IUPAC1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCCCn1cc(-c2c(C)cccc2Cl)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ncccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(CO)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C31H34Cl3N3.C31H31ClF3N3O2.C31H33ClF3N3O.C31H36ClN3O.C30H32ClF3N4O/c1-3-4-13-37-21-25(31-22(2)7-5-10-29(31)34)24-18-23(11-12-30(24)37)19-35-14-16-36(17-15-35)20-26-27(32)8-6-9-28(26)33;1-2-3-14-38-21-27(22-8-11-25(12-9-22)40-31(33,34)35)26-19-23(10-13-29(26)38)30(39)37-17-15-36(16-18-37)20-24-6-4-5-7-28(24)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-13-35-22-29(26-9-6-7-25(18-26)23-36)28-19-24(11-12-31(28)35)20-33-14-16-34(17-15-33)21-27-8-4-5-10-30(27)32;1-2-3-13-38-20-26(23-7-9-24(10-8-23)39-30(32,33)34)25-18-22(6-11-29(25)38)19-36-14-16-37(17-15-36)21-28-27(31)5-4-12-35-28/h5-12,18,21H,3-4,13-17,19-20H2,1-2H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-12,18-19,22,36H,2-3,13-17,20-21,23H2,1H3;4-12,18,20H,2-3,13-17,19,21H2,1H3
InChIKeyLIJQCMCEPCDYNK-UHFFFAOYSA-N
MW2740.28 g/mol
LogP38.24
Rot. Bonds43

About 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone

1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 159359768) has the molecular formula C154H166Cl7F9N16O5 and a molecular weight of 2740.28 g/mol. Its IUPAC name is 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID159359768
Molecular FormulaC154H166Cl7F9N16O5
Molecular Weight2740.28 g/mol
Exact Mass2735.09
IUPAC Name1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCCCn1cc(-c2c(C)cccc2Cl)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ncccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(CO)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C31H34Cl3N3.C31H31ClF3N3O2.C31H33ClF3N3O.C31H36ClN3O.C30H32ClF3N4O/c1-3-4-13-37-21-25(31-22(2)7-5-10-29(31)34)24-18-23(11-12-30(24)37)19-35-14-16-36(17-15-35)20-26-27(32)8-6-9-28(26)33;1-2-3-14-38-21-27(22-8-11-25(12-9-22)40-31(33,34)35)26-19-23(10-13-29(26)38)30(39)37-17-15-36(16-18-37)20-24-6-4-5-7-28(24)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-13-35-22-29(26-9-6-7-25(18-26)23-36)28-19-24(11-12-31(28)35)20-33-14-16-34(17-15-33)21-27-8-4-5-10-30(27)32;1-2-3-13-38-20-26(23-7-9-24(10-8-23)39-30(32,33)34)25-18-22(6-11-29(25)38)19-36-14-16-37(17-15-36)21-28-27(31)5-4-12-35-28/h5-12,18,21H,3-4,13-17,19-20H2,1-2H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-12,18-19,22,36H,2-3,13-17,20-21,23H2,1H3;4-12,18,20H,2-3,13-17,19,21H2,1H3
InChIKeyLIJQCMCEPCDYNK-UHFFFAOYSA-N
XLogP38.24
TPSA134.93 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002740.28
LogP ≤ 538.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[3-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(3-propylphenyl)indol-1-yl]propan-1-amine
CID 157130055
tert-butyl N-[3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane
CID 157135114
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-phenylindol-1-yl]pentan-1-one;5-[5-[[5-[(2-methoxy-6-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 157386399
2-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-methylindol-3-yl]acetic acid;3-(carboxymethyl)-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indole-5-carboxylic acid;1-(3,5-dichlorobenzoyl)indole-3-carboxylic acid;2-[2,5-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4-fluoro-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;1-[4-(trifluoromethyl)benzoyl]indole-3-carboxylic acid
CID 157474604
5-[5-[[5-[(2,6-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158131328
Tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole
CID 158200764
1-[2-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorophenyl]ethanone;4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-propyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158222180
[2-[5-[[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
CID 158362558
4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 158372332
4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
CID 158775313
tert-butyl N-[4-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]carbamate;tert-butyl N-[4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;4-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butan-1-amine
CID 158781979
1-Butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
CID 158901233

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 159359768) is 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is CCCCn1cc(-c2c(C)cccc2Cl)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ncccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(CO)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LIJQCMCEPCDYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl3N3.C31H31ClF3N3O2.C31H33ClF3N3O.C31H36ClN3O.C30H32ClF3N4O/c1-3-4-13-37-21-25(31-22(2)7-5-10-29(31)34)24-18-23(11-12-30(24)37)19-35-14-16-36(17-15-35)20-26-27(32)8-6-9-28(26)33;1-2-3-14-38-21-27(22-8-11-25(12-9-22)40-31(33,34)35)26-19-23(10-13-29(26)38)30(39)37-17-15-36(16-18-37)20-24-6-4-5-7-28(24)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-13-35-22-29(26-9-6-7-25(18-26)23-36)28-19-24(11-12-31(28)35)20-33-14-16-34(17-15-33)21-27-8-4-5-10-30(27)32;1-2-3-13-38-20-26(23-7-9-24(10-8-23)39-30(32,33)34)25-18-22(6-11-29(25)38)19-36-14-16-37(17-15-36)21-28-27(31)5-4-12-35-28/h5-12,18,21H,3-4,13-17,19-20H2,1-2H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-12,18-19,22,36H,2-3,13-17,20-21,23H2,1H3;4-12,18,20H,2-3,13-17,19,21H2,1H3.
What are the key properties of 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 2740.28 g/mol, XLogP of 38.24, 43 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159359768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).