1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride

C55H63ClF12N10 — CID 142793041

IUPAC1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride
SMILESCC(C)NC(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1.Cl
InChIInChI=1S/C55H62F12N10.ClH/c1-33(2)74-52(15-24-75-30-46(71-49(75)34-9-18-68-19-10-34)37-3-6-43(56)40(27-37)53(59,60)61,16-25-76-31-47(72-50(76)35-11-20-69-21-12-35)38-4-7-44(57)41(28-38)54(62,63)64)17-26-77-32-48(73-51(77)36-13-22-70-23-14-36)39-5-8-45(58)42(29-39)55(65,66)67;/h3-8,27-36,68-70,74H,9-26H2,1-2H3;1H
InChIKeyIQBCZTAZOOYELW-UHFFFAOYSA-N
MW1127.61 g/mol
LogP12.88
Rot. Bonds17

About 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride

1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride (PubChem CID 142793041) has the molecular formula C55H63ClF12N10 and a molecular weight of 1127.61 g/mol. Its IUPAC name is 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride
PubChem CID142793041
Molecular FormulaC55H63ClF12N10
Molecular Weight1127.61 g/mol
Exact Mass1126.47
IUPAC Name1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride
SMILESCC(C)NC(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1.Cl
InChIInChI=1S/C55H62F12N10.ClH/c1-33(2)74-52(15-24-75-30-46(71-49(75)34-9-18-68-19-10-34)37-3-6-43(56)40(27-37)53(59,60)61,16-25-76-31-47(72-50(76)35-11-20-69-21-12-35)38-4-7-44(57)41(28-38)54(62,63)64)17-26-77-32-48(73-51(77)36-13-22-70-23-14-36)39-5-8-45(58)42(29-39)55(65,66)67;/h3-8,27-36,68-70,74H,9-26H2,1-2H3;1H
InChIKeyIQBCZTAZOOYELW-UHFFFAOYSA-N
XLogP12.88
TPSA101.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.61
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride with MolForge

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Related Compounds

L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-amine
CID 10323382
((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-amine
CID 10601190
N-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 4581419
6-(4-(1-(2-(Dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-ethylpyrimidin-4-amine
CID 89442465
5-(4-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442482
6-(4-(1-(2-(dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-(4-fluorophenyl)pyrimidin-4-amine
CID 89442484
5-(3-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442595
6-{4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-vinyl-pyrimidin-4-ylamine
CID 89442640

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride?
The IUPAC name of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride (CID 142793041) is 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride.
What is the SMILES notation for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride?
The canonical SMILES for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride is CC(C)NC(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1.Cl.
What is the InChIKey of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride?
The InChIKey is IQBCZTAZOOYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62F12N10.ClH/c1-33(2)74-52(15-24-75-30-46(71-49(75)34-9-18-68-19-10-34)37-3-6-43(56)40(27-37)53(59,60)61,16-25-76-31-47(72-50(76)35-11-20-69-21-12-35)38-4-7-44(57)41(28-38)54(62,63)64)17-26-77-32-48(73-51(77)36-13-22-70-23-14-36)39-5-8-45(58)42(29-39)55(65,66)67;/h3-8,27-36,68-70,74H,9-26H2,1-2H3;1H.
What are the key properties of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride?
1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride has a molecular weight of 1127.61 g/mol, XLogP of 12.88, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]-N-propan-2-ylpentan-3-amine;hydrochloride is sourced from PubChem (CID 142793041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).