2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride

C63H60Cl4F9N15O4 — CID 157259541

IUPAC2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(-c2ccc(N3CCNCC3)nc2)[nH]1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(O)Cc1ccccc1Cl
InChIInChI=1S/2C21H19ClF3N5O.C13H14F3N5.C8H7ClO2.ClH/c2*22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25;14-13(15,16)10-8-19-12(20-10)9-1-2-11(18-7-9)21-5-3-17-4-6-21;9-7-4-2-1-3-6(7)5-8(10)11;/h2*1-6,12-13H,7-11H2,(H,27,28);1-2,7-8,17H,3-6H2,(H,19,20);1-4H,5H2,(H,10,11);1H
InChIKeyPZNMKBLVFNGUEI-UHFFFAOYSA-N
MW1404.07 g/mol
LogP12.36
Rot. Bonds12

About 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride

2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride (PubChem CID 157259541) has the molecular formula C63H60Cl4F9N15O4 and a molecular weight of 1404.07 g/mol. Its IUPAC name is 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride
PubChem CID157259541
Molecular FormulaC63H60Cl4F9N15O4
Molecular Weight1404.07 g/mol
Exact Mass1401.36
IUPAC Name2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(-c2ccc(N3CCNCC3)nc2)[nH]1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(O)Cc1ccccc1Cl
InChIInChI=1S/2C21H19ClF3N5O.C13H14F3N5.C8H7ClO2.ClH/c2*22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25;14-13(15,16)10-8-19-12(20-10)9-1-2-11(18-7-9)21-5-3-17-4-6-21;9-7-4-2-1-3-6(7)5-8(10)11;/h2*1-6,12-13H,7-11H2,(H,27,28);1-2,7-8,17H,3-6H2,(H,19,20);1-4H,5H2,(H,10,11);1H
InChIKeyPZNMKBLVFNGUEI-UHFFFAOYSA-N
XLogP12.36
TPSA224.38 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001404.07
LogP ≤ 512.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride with MolForge

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Related Compounds

3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline;2-chloropyridine-3,4-diamine;(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazo[4,5-c]pyridin-4-amine;2-(3-chloroquinolin-6-yl)acetic acid
CID 157197044
2-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate
CID 158197539
2-[4-[(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)ethanol;methyl 2-[4-[(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)acetate
CID 159908297
6-[(6-chloro-7H-purin-8-yl)methyl]quinoline;6-chloropyrimidine-4,5-diamine;(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-8-(quinolin-6-ylmethyl)-7H-purin-6-amine;2-quinolin-6-ylacetic acid
CID 160167555
3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid;1-(1H-imidazol-5-ylmethyl)piperazine;methane
CID 161102900
5-iodopyridin-2-amine;5-methyl-1H-imidazole;5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid
CID 161914615
Bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride
CID 162099369

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride (CID 157259541) is 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cnc(-c2ccc(N3CCNCC3)nc2)[nH]1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.O=C(O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is PZNMKBLVFNGUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19ClF3N5O.C13H14F3N5.C8H7ClO2.ClH/c2*22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25;14-13(15,16)10-8-19-12(20-10)9-1-2-11(18-7-9)21-5-3-17-4-6-21;9-7-4-2-1-3-6(7)5-8(10)11;/h2*1-6,12-13H,7-11H2,(H,27,28);1-2,7-8,17H,3-6H2,(H,19,20);1-4H,5H2,(H,10,11);1H.
What are the key properties of 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride?
2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 1404.07 g/mol, XLogP of 12.36, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 157259541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).