1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate

C106H141Cl6N23O7 — CID 159481381

IUPAC1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(CCCCc2cnc[nH]2)CCN1Cc1ccc(Cl)cc1.CCOC(=O)C1CN(Cc2ccc(Cl)cc2)CCN1CCCCc1cnc[nH]1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1.O=C(NCCCCc1cnc[nH]1)C1CNCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H31Cl2N5O.2C21H29ClN4O2.2C19H26ClN5O/c27-22-8-4-20(5-9-22)16-32-13-14-33(17-21-6-10-23(28)11-7-21)25(18-32)26(34)30-12-2-1-3-24-15-29-19-31-24;1-2-28-21(27)20-15-25(14-17-6-8-18(22)9-7-17)11-12-26(20)10-4-3-5-19-13-23-16-24-19;1-2-28-21(27)20-15-25(10-4-3-5-19-13-23-16-24-19)11-12-26(20)14-17-6-8-18(22)9-7-17;20-16-6-4-15(5-7-16)13-25-10-9-21-12-18(25)19(26)23-8-2-1-3-17-11-22-14-24-17;20-16-6-4-15(5-7-16)12-25-10-9-22-18(13-25)19(26)23-8-2-1-3-17-11-21-14-24-17/h4-11,15,19,25H,1-3,12-14,16-18H2,(H,29,31)(H,30,34);2*6-9,13,16,20H,2-5,10-12,14-15H2,1H3,(H,23,24);4-7,11,14,18,21H,1-3,8-10,12-13H2,(H,22,24)(H,23,26);4-7,11,14,18,22H,1-3,8-10,12-13H2,(H,21,24)(H,23,26)
InChIKeyLXAUMMFQABRCKS-UHFFFAOYSA-N
MW2062.17 g/mol
LogP14.76
Rot. Bonds44

About 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate

1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate (PubChem CID 159481381) has the molecular formula C106H141Cl6N23O7 and a molecular weight of 2062.17 g/mol. Its IUPAC name is 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate.

Molecular Properties

Compound Name1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate
PubChem CID159481381
Molecular FormulaC106H141Cl6N23O7
Molecular Weight2062.17 g/mol
Exact Mass2057.95
IUPAC Name1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(CCCCc2cnc[nH]2)CCN1Cc1ccc(Cl)cc1.CCOC(=O)C1CN(Cc2ccc(Cl)cc2)CCN1CCCCc1cnc[nH]1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1.O=C(NCCCCc1cnc[nH]1)C1CNCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H31Cl2N5O.2C21H29ClN4O2.2C19H26ClN5O/c27-22-8-4-20(5-9-22)16-32-13-14-33(17-21-6-10-23(28)11-7-21)25(18-32)26(34)30-12-2-1-3-24-15-29-19-31-24;1-2-28-21(27)20-15-25(14-17-6-8-18(22)9-7-17)11-12-26(20)10-4-3-5-19-13-23-16-24-19;1-2-28-21(27)20-15-25(10-4-3-5-19-13-23-16-24-19)11-12-26(20)14-17-6-8-18(22)9-7-17;20-16-6-4-15(5-7-16)13-25-10-9-21-12-18(25)19(26)23-8-2-1-3-17-11-22-14-24-17;20-16-6-4-15(5-7-16)12-25-10-9-22-18(13-25)19(26)23-8-2-1-3-17-11-21-14-24-17/h4-11,15,19,25H,1-3,12-14,16-18H2,(H,29,31)(H,30,34);2*6-9,13,16,20H,2-5,10-12,14-15H2,1H3,(H,23,24);4-7,11,14,18,21H,1-3,8-10,12-13H2,(H,22,24)(H,23,26);4-7,11,14,18,22H,1-3,8-10,12-13H2,(H,21,24)(H,23,26)
InChIKeyLXAUMMFQABRCKS-UHFFFAOYSA-N
XLogP14.76
TPSA333.28 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.17
LogP ≤ 514.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate with MolForge

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Related Compounds

1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide
CID 160784049
1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine
CID 157502770
3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidopyridin-1-ium-2-yl)propanamide;3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropanamide;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea
CID 157805631
N-tert-butyl-4-[(2S)-13-chloro-10-[(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxamide;tris(N-[[(2S)-13-chloro-2-(4-methylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl]-(3-methylimidazol-4-yl)methyl]acetamide);oxan-4-yl 4-[(2S)-13-chloro-10-[(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxylate;propan-2-yl 4-[(2S)-13-chloro-10-[(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxylate
CID 157852743
tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide
CID 158280488
3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide
CID 158880542
1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine
CID 159586533
bis(tert-butyl (3R)-3-[benzyl(3-imidazol-1-ylpropyl)carbamoyl]-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carboxylate);bis(tert-butyl (3R)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate)
CID 160284675
(2R)-2-amino-N-[(4-chlorophenyl)methyl]propanamide;bis((2R)-2-[[2-chloro-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]amino]-N-[(4-chlorophenyl)methyl]propanamide);(2R)-N-[(4-chlorophenyl)methyl]-2-[[2-[(3-chlorophenyl)methylamino]-6-(1H-imidazol-2-yl)pyrimidin-4-yl]amino]propanamide;bis(2,4-dichloro-6-(1-methylimidazol-2-yl)pyrimidine);3H-pyrrole
CID 160538573
3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine;3-(4-chlorophenyl)-N'-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropanimidamide;N'-[4-(4-chlorophenyl)-4-pyridin-2-ylbutyl]-4-(1H-imidazol-5-yl)butanimidamide;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
CID 160809089
5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone
CID 160928442
5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;2-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2-pyridin-2-ylethanone;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone
CID 161137618

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate?
The IUPAC name of 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate (CID 159481381) is 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate.
What is the SMILES notation for 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate?
The canonical SMILES for 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate is CCOC(=O)C1CN(CCCCc2cnc[nH]2)CCN1Cc1ccc(Cl)cc1.CCOC(=O)C1CN(Cc2ccc(Cl)cc2)CCN1CCCCc1cnc[nH]1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1.O=C(NCCCCc1cnc[nH]1)C1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1.O=C(NCCCCc1cnc[nH]1)C1CNCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate?
The InChIKey is LXAUMMFQABRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N5O.2C21H29ClN4O2.2C19H26ClN5O/c27-22-8-4-20(5-9-22)16-32-13-14-33(17-21-6-10-23(28)11-7-21)25(18-32)26(34)30-12-2-1-3-24-15-29-19-31-24;1-2-28-21(27)20-15-25(14-17-6-8-18(22)9-7-17)11-12-26(20)10-4-3-5-19-13-23-16-24-19;1-2-28-21(27)20-15-25(10-4-3-5-19-13-23-16-24-19)11-12-26(20)14-17-6-8-18(22)9-7-17;20-16-6-4-15(5-7-16)13-25-10-9-21-12-18(25)19(26)23-8-2-1-3-17-11-22-14-24-17;20-16-6-4-15(5-7-16)12-25-10-9-22-18(13-25)19(26)23-8-2-1-3-17-11-21-14-24-17/h4-11,15,19,25H,1-3,12-14,16-18H2,(H,29,31)(H,30,34);2*6-9,13,16,20H,2-5,10-12,14-15H2,1H3,(H,23,24);4-7,11,14,18,21H,1-3,8-10,12-13H2,(H,22,24)(H,23,26);4-7,11,14,18,22H,1-3,8-10,12-13H2,(H,21,24)(H,23,26).
What are the key properties of 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate?
1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate has a molecular weight of 2062.17 g/mol, XLogP of 14.76, 44 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;1-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;4-[(4-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxamide;ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-1-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate is sourced from PubChem (CID 159481381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).