6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole

C24H28N2O — CID 158736319

IUPAC6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole
SMILESCc1ccc2c(c1)OCC21CCC([C@H](C)c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C24H28N2O/c1-15-5-7-20-21(12-15)26-23(25-20)17(3)18-8-10-24(11-9-18)14-27-22-13-16(2)4-6-19(22)24/h4-7,12-13,17-18H,8-11,14H2,1-3H3,(H,25,26)/t17-,18?,24?/m0/s1
InChIKeyUYKWGXWEQRSVRJ-JPEQQQOWSA-N
MW360.50 g/mol
LogP5.80
Rot. Bonds2

About 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole

6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole (PubChem CID 158736319) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole
PubChem CID158736319
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole
SMILESCc1ccc2c(c1)OCC21CCC([C@H](C)c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C24H28N2O/c1-15-5-7-20-21(12-15)26-23(25-20)17(3)18-8-10-24(11-9-18)14-27-22-13-16(2)4-6-19(22)24/h4-7,12-13,17-18H,8-11,14H2,1-3H3,(H,25,26)/t17-,18?,24?/m0/s1
InChIKeyUYKWGXWEQRSVRJ-JPEQQQOWSA-N
XLogP5.80
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
CID 166898533

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole (CID 158736319) is 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole is Cc1ccc2c(c1)OCC21CCC([C@H](C)c2nc3ccc(C)cc3[nH]2)CC1.
What is the InChIKey of 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole?
The InChIKey is UYKWGXWEQRSVRJ-JPEQQQOWSA-N. The full InChI is InChI=1S/C24H28N2O/c1-15-5-7-20-21(12-15)26-23(25-20)17(3)18-8-10-24(11-9-18)14-27-22-13-16(2)4-6-19(22)24/h4-7,12-13,17-18H,8-11,14H2,1-3H3,(H,25,26)/t17-,18?,24?/m0/s1.
What are the key properties of 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole?
6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole has a molecular weight of 360.50 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1S)-1-(6-methylspiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 158736319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).