1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole

C127H155F3N24O — CID 159098682

IUPAC1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESCCC(CC)n1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCOCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.Cc1ccccc1N1CCN(c2nc3ccccc3n2CC(F)(F)F)CC1
InChIInChI=1S/C23H30N4.C22H28N4O.2C21H26N4.C20H21F3N4.C20H24N4/c1-4-19(5-2)27-22-13-9-7-11-20(22)24-23(27)26-16-14-25(15-17-26)21-12-8-6-10-18(21)3;1-3-27-17-16-26-21-11-7-5-9-19(21)23-22(26)25-14-12-24(13-15-25)20-10-6-4-8-18(20)2;2*1-3-12-25-20-11-7-5-9-18(20)22-21(25)24-15-13-23(14-16-24)19-10-6-4-8-17(19)2;1-15-6-2-4-8-17(15)25-10-12-26(13-11-25)19-24-16-7-3-5-9-18(16)27(19)14-20(21,22)23;1-3-24-19-11-7-5-9-17(19)21-20(24)23-14-12-22(13-15-23)18-10-6-4-8-16(18)2/h6-13,19H,4-5,14-17H2,1-3H3;4-11H,3,12-17H2,1-2H3;2*4-11H,3,12-16H2,1-2H3;2-9H,10-14H2,1H3;4-11H,3,12-15H2,1-2H3
InChIKeyKCZMWVQMZRNENU-UHFFFAOYSA-N
MW2090.80 g/mol
LogP24.83
Rot. Bonds25

About 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole

1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 159098682) has the molecular formula C127H155F3N24O and a molecular weight of 2090.80 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID159098682
Molecular FormulaC127H155F3N24O
Molecular Weight2090.80 g/mol
Exact Mass2089.28
IUPAC Name1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESCCC(CC)n1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCOCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.Cc1ccccc1N1CCN(c2nc3ccccc3n2CC(F)(F)F)CC1
InChIInChI=1S/C23H30N4.C22H28N4O.2C21H26N4.C20H21F3N4.C20H24N4/c1-4-19(5-2)27-22-13-9-7-11-20(22)24-23(27)26-16-14-25(15-17-26)21-12-8-6-10-18(21)3;1-3-27-17-16-26-21-11-7-5-9-19(21)23-22(26)25-14-12-24(13-15-25)20-10-6-4-8-18(20)2;2*1-3-12-25-20-11-7-5-9-18(20)22-21(25)24-15-13-23(14-16-24)19-10-6-4-8-17(19)2;1-15-6-2-4-8-17(15)25-10-12-26(13-11-25)19-24-16-7-3-5-9-18(16)27(19)14-20(21,22)23;1-3-24-19-11-7-5-9-17(19)21-20(24)23-14-12-22(13-15-23)18-10-6-4-8-16(18)2/h6-13,19H,4-5,14-17H2,1-3H3;4-11H,3,12-17H2,1-2H3;2*4-11H,3,12-16H2,1-2H3;2-9H,10-14H2,1H3;4-11H,3,12-15H2,1-2H3
InChIKeyKCZMWVQMZRNENU-UHFFFAOYSA-N
XLogP24.83
TPSA155.03 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.80
LogP ≤ 524.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole with MolForge

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Related Compounds

N-[1-[4-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazin-1-yl]butyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 22094761
N-(1-benzylpyrrolidin-3-yl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 89627785
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-[(4-piperidin-1-ylphenyl)methyl]-1,3,5-triazin-2-amine
CID 89627814
bis[2-[4-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 123520442
5-N,5-N,14-N,14-N,23-N,23-N-hexabenzyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine;methane;5-methyl-14,23-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;5,14,23-tripyrrolidin-1-yl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
CID 157312387
(3R)-5'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole];(3S)-5'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 157550404
methyl 1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 158936291
CID 159079625
CID 159079625
(3R)-6'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole];(3S)-6'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole];(3R)-7'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole];(3S)-7'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 159105647
methyl 1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;4-[1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoro-1-[1-(4-methylphenyl)-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 159116387
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;(5R)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,2,5-trimethylmorpholine
CID 160091585
4-[2-(3-aminopropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[2-(dimethylamino)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[3-(dimethylamino)propyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-[3-(methylamino)propyl]-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-(morpholin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 161573385

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole (CID 159098682) is 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole is CCC(CC)n1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCOCCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.CCn1c(N2CCN(c3ccccc3C)CC2)nc2ccccc21.Cc1ccccc1N1CCN(c2nc3ccccc3n2CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is KCZMWVQMZRNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4.C22H28N4O.2C21H26N4.C20H21F3N4.C20H24N4/c1-4-19(5-2)27-22-13-9-7-11-20(22)24-23(27)26-16-14-25(15-17-26)21-12-8-6-10-18(21)3;1-3-27-17-16-26-21-11-7-5-9-19(21)23-22(26)25-14-12-24(13-15-25)20-10-6-4-8-18(20)2;2*1-3-12-25-20-11-7-5-9-18(20)22-21(25)24-15-13-23(14-16-24)19-10-6-4-8-17(19)2;1-15-6-2-4-8-17(15)25-10-12-26(13-11-25)19-24-16-7-3-5-9-18(16)27(19)14-20(21,22)23;1-3-24-19-11-7-5-9-17(19)21-20(24)23-14-12-22(13-15-23)18-10-6-4-8-16(18)2/h6-13,19H,4-5,14-17H2,1-3H3;4-11H,3,12-17H2,1-2H3;2*4-11H,3,12-16H2,1-2H3;2-9H,10-14H2,1H3;4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole?
1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 2090.80 g/mol, XLogP of 24.83, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 159098682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).