1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate

C145H142N16O8 — CID 159535780

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate
SMILESCCCCn1c(-c2ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c2)nc2cc(C(=O)OC)ccc21.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCCc4ccccc4)nc3c1)n2CCC1=CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1
InChIInChI=1S/C39H38N4O2.C38H36N4O2.C35H34N4O2.C33H34N4O2/c1-45-39(44)32-19-20-37-36(26-32)40-38(43(37)24-21-28-11-5-2-6-12-28)31-17-18-33-27-42(41-35(33)25-31)23-22-34(29-13-7-3-8-14-29)30-15-9-4-10-16-30;43-38(44)31-18-19-36-35(25-31)39-37(42(36)23-20-27-10-4-1-5-11-27)30-16-17-32-26-41(40-34(32)24-30)22-21-33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;1-3-4-20-39-33-18-17-28(35(40)41-2)23-32(33)36-34(39)27-15-16-29-24-38(37-31(29)22-27)21-19-30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;1-39-33(38)27-16-17-31-30(22-27)34-32(37(31)20-18-25-11-6-3-7-12-25)26-14-15-28-23-36(35-29(28)21-26)19-8-13-24-9-4-2-5-10-24/h3-4,7-11,13-20,25-27,34H,2,5-6,12,21-24H2,1H3;2-3,6-10,12-19,24-26,33H,1,4-5,11,20-23H2,(H,43,44);5-18,22-24,30H,3-4,19-21H2,1-2H3;2,4-5,9-11,14-17,21-23H,3,6-8,12-13,18-20H2,1H3
InChIKeyMDOIBQBNBUSRQY-UHFFFAOYSA-N
MW2236.83 g/mol
LogP33.04
Rot. Bonds39

About 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate

1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate (PubChem CID 159535780) has the molecular formula C145H142N16O8 and a molecular weight of 2236.83 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate
PubChem CID159535780
Molecular FormulaC145H142N16O8
Molecular Weight2236.83 g/mol
Exact Mass2235.12
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate
SMILESCCCCn1c(-c2ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c2)nc2cc(C(=O)OC)ccc21.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCCc4ccccc4)nc3c1)n2CCC1=CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1
InChIInChI=1S/C39H38N4O2.C38H36N4O2.C35H34N4O2.C33H34N4O2/c1-45-39(44)32-19-20-37-36(26-32)40-38(43(37)24-21-28-11-5-2-6-12-28)31-17-18-33-27-42(41-35(33)25-31)23-22-34(29-13-7-3-8-14-29)30-15-9-4-10-16-30;43-38(44)31-18-19-36-35(25-31)39-37(42(36)23-20-27-10-4-1-5-11-27)30-16-17-32-26-41(40-34(32)24-30)22-21-33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;1-3-4-20-39-33-18-17-28(35(40)41-2)23-32(33)36-34(39)27-15-16-29-24-38(37-31(29)22-27)21-19-30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;1-39-33(38)27-16-17-31-30(22-27)34-32(37(31)20-18-25-11-6-3-7-12-25)26-14-15-28-23-36(35-29(28)21-26)19-8-13-24-9-4-2-5-10-24/h3-4,7-11,13-20,25-27,34H,2,5-6,12,21-24H2,1H3;2-3,6-10,12-19,24-26,33H,1,4-5,11,20-23H2,(H,43,44);5-18,22-24,30H,3-4,19-21H2,1-2H3;2,4-5,9-11,14-17,21-23H,3,6-8,12-13,18-20H2,1H3
InChIKeyMDOIBQBNBUSRQY-UHFFFAOYSA-N
XLogP33.04
TPSA258.76 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.83
LogP ≤ 533.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate with MolForge

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Related Compounds

2-Butyl-3-[[4-[2-[1-(2,2-dimethylpropanoyloxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid;2-butyl-3-[[4-[2-[2-(2,2-dimethylpropanoyloxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 44315169
1-Cyclohexyl-2-[2-(1-phenylpyrazol-4-yl)-6-quinolyl]benzimidazole-5-carboxylic acid
CID 5276069
1-Cyclohexyl-2-[2-(2-pyrazol-1-ylethyl)-6-quinolyl]benzimidazole-5-carboxylic acid
CID 5276095
2-Fluoro-4-[6-(1-tritylpyrazol-4-yl)benzimidazol-1-yl]benzoic acid
CID 22031463
Ethyl 2-fluoro-4-[6-(1-tritylpyrazol-4-yl)benzimidazol-1-yl]benzoate
CID 23537681
4-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]benzimidazol-1-yl]-2-fluorobenzoic acid
CID 68812506
Methyl 1-[[1-(2-methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]benzimidazole-5-carboxylate
CID 118251603
1-[[1-(2-Methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]benzimidazole-5-carboxylic acid
CID 118251605
Ethane;1-[[1-(2-methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]benzimidazole-5-carboxylic acid
CID 144894490
Methyl 2-methyl-4-[6-(2-methylpyrazol-3-yl)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]benzoate;2-methyl-4-[6-(2-methylpyrazol-3-yl)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]benzoic acid
CID 157104712
Methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-fluorophenyl)-3-(2-methoxyethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1-(3-phenylpropyl)benzimidazole-5-carboxylate;bis(methyl 2-[3-pentyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-(3-phenylpropyl)benzimidazole-5-carboxylate);2-[3-pentyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid
CID 157922807
2-Methyl-4-[6-(2-methylpyrazol-3-yl)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]benzoic acid;1-[2-methyl-4-[6-(2-methylpyrazol-3-yl)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]phenyl]butan-1-one
CID 157947236

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate (CID 159535780) is 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate is CCCCn1c(-c2ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c2)nc2cc(C(=O)OC)ccc21.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc3cn(CCCc4ccccc4)nc3c1)n2CCC1=CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc3cn(CCC(c4ccccc4)c4ccccc4)nc3c1)n2CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate?
The InChIKey is MDOIBQBNBUSRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N4O2.C38H36N4O2.C35H34N4O2.C33H34N4O2/c1-45-39(44)32-19-20-37-36(26-32)40-38(43(37)24-21-28-11-5-2-6-12-28)31-17-18-33-27-42(41-35(33)25-31)23-22-34(29-13-7-3-8-14-29)30-15-9-4-10-16-30;43-38(44)31-18-19-36-35(25-31)39-37(42(36)23-20-27-10-4-1-5-11-27)30-16-17-32-26-41(40-34(32)24-30)22-21-33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;1-3-4-20-39-33-18-17-28(35(40)41-2)23-32(33)36-34(39)27-15-16-29-24-38(37-31(29)22-27)21-19-30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;1-39-33(38)27-16-17-31-30(22-27)34-32(37(31)20-18-25-11-6-3-7-12-25)26-14-15-28-23-36(35-29(28)21-26)19-8-13-24-9-4-2-5-10-24/h3-4,7-11,13-20,25-27,34H,2,5-6,12,21-24H2,1H3;2-3,6-10,12-19,24-26,33H,1,4-5,11,20-23H2,(H,43,44);5-18,22-24,30H,3-4,19-21H2,1-2H3;2,4-5,9-11,14-17,21-23H,3,6-8,12-13,18-20H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate?
1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate has a molecular weight of 2236.83 g/mol, XLogP of 33.04, 39 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylic acid;methyl 1-butyl-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,3-diphenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate is sourced from PubChem (CID 159535780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).