4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone

C44H48F6N6O6 — CID 167686092

IUPAC4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCOCC3)cc21.CCn1cnc2ccc(N3CCOCC3)cc21.O=C(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C22H24F3N3O3.C13H17N3O.C9H7F3O2/c1-2-28-19-13-17(27-9-11-31-12-10-27)7-8-18(19)26-20(28)21(30,22(23,24)25)16-5-3-15(14-29)4-6-16;1-2-15-10-14-12-4-3-11(9-13(12)15)16-5-7-17-8-6-16;10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h3-8,13,29-30H,2,9-12,14H2,1H3;3-4,9-10H,2,5-8H2,1H3;1-4,13H,5H2
InChIKeyWFWWLOVJUPZUEO-UHFFFAOYSA-N
MW870.89 g/mol
LogP7.00
Rot. Bonds9

About 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone

4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 167686092) has the molecular formula C44H48F6N6O6 and a molecular weight of 870.89 g/mol. Its IUPAC name is 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID167686092
Molecular FormulaC44H48F6N6O6
Molecular Weight870.89 g/mol
Exact Mass870.35
IUPAC Name4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCOCC3)cc21.CCn1cnc2ccc(N3CCOCC3)cc21.O=C(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C22H24F3N3O3.C13H17N3O.C9H7F3O2/c1-2-28-19-13-17(27-9-11-31-12-10-27)7-8-18(19)26-20(28)21(30,22(23,24)25)16-5-3-15(14-29)4-6-16;1-2-15-10-14-12-4-3-11(9-13(12)15)16-5-7-17-8-6-16;10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h3-8,13,29-30H,2,9-12,14H2,1H3;3-4,9-10H,2,5-8H2,1H3;1-4,13H,5H2
InChIKeyWFWWLOVJUPZUEO-UHFFFAOYSA-N
XLogP7.00
TPSA138.34 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.89
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-methylbenzimidazole;1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol;2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
CID 167617368
bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol
CID 167539053
N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide
CID 164940318
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-methyl-1-(4-methylsulfanylphenyl)-2-(4-morpholin-4-ylphenyl)butan-1-one
CID 161153433
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613
3-(1,4-dioxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791302
[6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]-3-pyridinyl]methanol;2,2,2-trifluoroacetic acid
CID 117075577
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone (CID 167686092) is 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone is CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCOCC3)cc21.CCn1cnc2ccc(N3CCOCC3)cc21.O=C(c1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is WFWWLOVJUPZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3.C13H17N3O.C9H7F3O2/c1-2-28-19-13-17(27-9-11-31-12-10-27)7-8-18(19)26-20(28)21(30,22(23,24)25)16-5-3-15(14-29)4-6-16;1-2-15-10-14-12-4-3-11(9-13(12)15)16-5-7-17-8-6-16;10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h3-8,13,29-30H,2,9-12,14H2,1H3;3-4,9-10H,2,5-8H2,1H3;1-4,13H,5H2.
What are the key properties of 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone?
4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 870.89 g/mol, XLogP of 7.00, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylbenzimidazol-5-yl)morpholine;1-(1-ethyl-6-morpholin-4-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 167686092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).