N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium

C129H162N15O11+ — CID 161377288

IUPACN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(Oc4ccccn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(COc2ccc3nc(NC(=O)c4ccc(C)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)cc1
InChIInChI=1S/C33H38N4O3.C33H46N4O2.C32H43N3O3.C31H34N4O3/c1-21(2)34-31(38)26-13-15-27(16-14-26)37-30-19-28(40-20-24-9-5-22(3)6-10-24)17-18-29(30)35-33(37)36-32(39)25-11-7-23(4)8-12-25;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)33-30(36)23-11-14-25(15-12-23)35-27-19-26(38-29-6-4-5-17-32-29)16-13-24(27)18-28(35)34-31(37)22-9-7-21(3)8-10-22/h5-12,17-19,21,26-27H,13-16,20H2,1-4H3,(H,34,38)(H,35,36,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-10,13,16-17,19-20,23,25H,11-12,14-15,18H2,1-3H3,(H,33,36)/p+1/b;35-31+;34-29+;34-28+
InChIKeyTUOFDTKLEMDCSH-NYSMIHRDSA-O
MW2098.81 g/mol
LogP24.44
Rot. Bonds31

About N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium

N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium (PubChem CID 161377288) has the molecular formula C129H162N15O11+ and a molecular weight of 2098.81 g/mol. Its IUPAC name is N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium.

Molecular Properties

Compound NameN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
PubChem CID161377288
Molecular FormulaC129H162N15O11+
Molecular Weight2098.81 g/mol
Exact Mass2097.26
IUPAC NameN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(Oc4ccccn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(COc2ccc3nc(NC(=O)c4ccc(C)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)cc1
InChIInChI=1S/C33H38N4O3.C33H46N4O2.C32H43N3O3.C31H34N4O3/c1-21(2)34-31(38)26-13-15-27(16-14-26)37-30-19-28(40-20-24-9-5-22(3)6-10-24)17-18-29(30)35-33(37)36-32(39)25-11-7-23(4)8-12-25;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)33-30(36)23-11-14-25(15-12-23)35-27-19-26(38-29-6-4-5-17-32-29)16-13-24(27)18-28(35)34-31(37)22-9-7-21(3)8-10-22/h5-12,17-19,21,26-27H,13-16,20H2,1-4H3,(H,34,38)(H,35,36,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-10,13,16-17,19-20,23,25H,11-12,14-15,18H2,1-3H3,(H,33,36)/p+1/b;35-31+;34-29+;34-28+
InChIKeyTUOFDTKLEMDCSH-NYSMIHRDSA-O
XLogP24.44
TPSA312.91 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.81
LogP ≤ 524.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium with MolForge

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Related Compounds

(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693
N-[(1S)-1-(2-acetamido-1H-imidazol-4-yl)-2-(5-hydroxy-1-methyl-indol-3-yl)ethyl]-1-cyclohexyl-2-(3-furyl)benzimidazole-5-carboxamide
CID 5273375
1-cyclohexyl-2-(3-furyl)-N-[(1S)-2-(5-hydroxy-1H-indol-3-yl)-1-(2-pyridyl)ethyl]benzimidazole-5-carboxamide
CID 491154
1-cyclohexyl-2-(3-furyl)-N-[(1S)-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]benzimidazole-5-carboxamide
CID 491196
1-cyclohexyl-2-(3-furyl)-N-[(1S)-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-2-oxo-ethyl]benzimidazole-5-carboxamide
CID 491197
3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide;N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide;N-cyclohexyl-3-[2-[4-(2,2-difluoropropoxy)phenyl]benzimidazol-1-yl]-N-ethylpropanamide;N-cyclohexyl-3-[2-(6-ethoxy-3-pyridinyl)benzimidazol-1-yl]-N-ethylpropanamide;methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
CID 163643568
4-(3-amino-5-methylphenyl)-1-methylpyrrolidin-2-one;4-(3-isothiocyanato-5-methylphenyl)-1-methylpyrrolidin-2-one;N-[4-[3-methyl-2-[3-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 167598285
1-cyclohexyl-2-(3-furyl)-N-[(1S)-2-(5-hydroxy-1H-indol-3-yl)-1-(4-pyridyl)ethyl]benzimidazole-5-carboxamide
CID 491155
Tert-butyl 13-methyl-12,14-dioxo-20-phenylmethoxy-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-23-carboxylate
CID 102245463
N-[1-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(2-fluoro-4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 11456471
1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11166793
1-[3-(1H-indol-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11178953

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The IUPAC name of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium (CID 161377288) is N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium.
What is the SMILES notation for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The canonical SMILES for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium is CC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(Oc4ccccn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(COc2ccc3nc(NC(=O)c4ccc(C)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)cc1.
What is the InChIKey of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The InChIKey is TUOFDTKLEMDCSH-NYSMIHRDSA-O. The full InChI is InChI=1S/C33H38N4O3.C33H46N4O2.C32H43N3O3.C31H34N4O3/c1-21(2)34-31(38)26-13-15-27(16-14-26)37-30-19-28(40-20-24-9-5-22(3)6-10-24)17-18-29(30)35-33(37)36-32(39)25-11-7-23(4)8-12-25;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)33-30(36)23-11-14-25(15-12-23)35-27-19-26(38-29-6-4-5-17-32-29)16-13-24(27)18-28(35)34-31(37)22-9-7-21(3)8-10-22/h5-12,17-19,21,26-27H,13-16,20H2,1-4H3,(H,34,38)(H,35,36,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-10,13,16-17,19-20,23,25H,11-12,14-15,18H2,1-3H3,(H,33,36)/p+1/b;35-31+;34-29+;34-28+.
What are the key properties of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium has a molecular weight of 2098.81 g/mol, XLogP of 24.44, 31 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylphenyl)methoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-pyridin-2-yloxy-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium is sourced from PubChem (CID 161377288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).