2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride

C13H15ClN2O2S — CID 82502367

IUPAC2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H15ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyJROIIEPJVTZVSZ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.54
Rot. Bonds2

About 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride

2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride (PubChem CID 82502367) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
PubChem CID82502367
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H15ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyJROIIEPJVTZVSZ-UHFFFAOYSA-N
XLogP3.54
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide
CID 169367311
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66032188
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82497477

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride (CID 82502367) is 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride?
The InChIKey is JROIIEPJVTZVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16).
What are the key properties of 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride?
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride has a molecular weight of 298.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 82502367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).