2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole

C15H20N2O2S — CID 106827829

IUPAC2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H20N2O2S/c1-15(8-4-3-5-9-15)14-16-12-7-6-11(20(2,18)19)10-13(12)17-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyPEFVNDVDCLOPBF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.19
Rot. Bonds2

About 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole

2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 106827829) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID106827829
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H20N2O2S/c1-15(8-4-3-5-9-15)14-16-12-7-6-11(20(2,18)19)10-13(12)17-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyPEFVNDVDCLOPBF-UHFFFAOYSA-N
XLogP3.19
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methylsulfonyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846343
2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 106827844
ethyl 1-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480049
4-methyl-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)oxolan-3-amine
CID 66251086
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799
2-(2-methylpyrrolidin-3-yl)-6-methylsulfonyl-1H-benzimidazole
CID 79364223
2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
CID 64671829

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole (CID 106827829) is 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole is CC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is PEFVNDVDCLOPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(8-4-3-5-9-15)14-16-12-7-6-11(20(2,18)19)10-13(12)17-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole?
2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 292.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 106827829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).