4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine

C113H129N11O6 — CID 161204492

IUPAC4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(C(=O)NC(C)C2CCC3(CC2)COc2ccccc23)cc1.Cc1ccc2nc([C@@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1ccc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc(C(C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1
InChIInChI=1S/2C23H26N2O.C23H27NO2.2C22H25N3O/c2*1-15-7-8-19-20(13-15)25-22(24-19)16(2)17-9-11-23(12-10-17)14-26-21-6-4-3-5-18(21)23;1-16-7-9-19(10-8-16)22(25)24-17(2)18-11-13-23(14-12-18)15-26-21-6-4-3-5-20(21)23;2*1-14-11-18-21(23-12-14)25-20(24-18)15(2)16-7-9-22(10-8-16)13-26-19-6-4-3-5-17(19)22/h2*3-8,13,16-17H,9-12,14H2,1-2H3,(H,24,25);3-10,17-18H,11-15H2,1-2H3,(H,24,25);2*3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,23,24,25)/t2*16-,17?,23?;;15-,16?,22?;/m10.1./s1
InChIKeyUVKLXSCDERWMTK-RLGAKHHWSA-N
MW1737.35 g/mol
LogP25.41
Rot. Bonds11

About 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine

4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 161204492) has the molecular formula C113H129N11O6 and a molecular weight of 1737.35 g/mol. Its IUPAC name is 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID161204492
Molecular FormulaC113H129N11O6
Molecular Weight1737.35 g/mol
Exact Mass1736.01
IUPAC Name4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(C(=O)NC(C)C2CCC3(CC2)COc2ccccc23)cc1.Cc1ccc2nc([C@@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1ccc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc(C(C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1
InChIInChI=1S/2C23H26N2O.C23H27NO2.2C22H25N3O/c2*1-15-7-8-19-20(13-15)25-22(24-19)16(2)17-9-11-23(12-10-17)14-26-21-6-4-3-5-18(21)23;1-16-7-9-19(10-8-16)22(25)24-17(2)18-11-13-23(14-12-18)15-26-21-6-4-3-5-20(21)23;2*1-14-11-18-21(23-12-14)25-20(24-18)15(2)16-7-9-22(10-8-16)13-26-19-6-4-3-5-17(19)22/h2*3-8,13,16-17H,9-12,14H2,1-2H3,(H,24,25);3-10,17-18H,11-15H2,1-2H3,(H,24,25);2*3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,23,24,25)/t2*16-,17?,23?;;15-,16?,22?;/m10.1./s1
InChIKeyUVKLXSCDERWMTK-RLGAKHHWSA-N
XLogP25.41
TPSA215.75 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.35
LogP ≤ 525.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole
CID 158736319
4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide
CID 138553611
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide
CID 100787032
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 56553741
5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;methane;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-methyl-8-propan-2-yl-7H-purine
CID 158793708
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine (CID 161204492) is 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine is Cc1ccc(C(=O)NC(C)C2CCC3(CC2)COc2ccccc23)cc1.Cc1ccc2nc([C@@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1ccc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc(C(C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.Cc1cnc2nc([C@H](C)C3CCC4(CC3)COc3ccccc34)[nH]c2c1.
What is the InChIKey of 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is UVKLXSCDERWMTK-RLGAKHHWSA-N. The full InChI is InChI=1S/2C23H26N2O.C23H27NO2.2C22H25N3O/c2*1-15-7-8-19-20(13-15)25-22(24-19)16(2)17-9-11-23(12-10-17)14-26-21-6-4-3-5-18(21)23;1-16-7-9-19(10-8-16)22(25)24-17(2)18-11-13-23(14-12-18)15-26-21-6-4-3-5-20(21)23;2*1-14-11-18-21(23-12-14)25-20(24-18)15(2)16-7-9-22(10-8-16)13-26-19-6-4-3-5-17(19)22/h2*3-8,13,16-17H,9-12,14H2,1-2H3,(H,24,25);3-10,17-18H,11-15H2,1-2H3,(H,24,25);2*3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,23,24,25)/t2*16-,17?,23?;;15-,16?,22?;/m10.1./s1.
What are the key properties of 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine?
4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 1737.35 g/mol, XLogP of 25.41, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 161204492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).