4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol

C13H18N2O4S — CID 163613068

IUPAC4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCS(=O)(=O)n1c(CO)nc2ccccc21
InChIInChI=1S/C13H18N2O4S/c1-13(2,17)7-8-20(18,19)15-11-6-4-3-5-10(11)14-12(15)9-16/h3-6,16-17H,7-9H2,1-2H3
InChIKeyHHQAEHCUTCMUJR-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.87
Rot. Bonds5

About 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol

4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol (PubChem CID 163613068) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol
PubChem CID163613068
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCS(=O)(=O)n1c(CO)nc2ccccc21
InChIInChI=1S/C13H18N2O4S/c1-13(2,17)7-8-20(18,19)15-11-6-4-3-5-10(11)14-12(15)9-16/h3-6,16-17H,7-9H2,1-2H3
InChIKeyHHQAEHCUTCMUJR-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
CID 47023526
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid
CID 35753617
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110899560
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
CID 10278292

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol (CID 163613068) is 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol is CC(C)(O)CCS(=O)(=O)n1c(CO)nc2ccccc21.
What is the InChIKey of 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol?
The InChIKey is HHQAEHCUTCMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(2,17)7-8-20(18,19)15-11-6-4-3-5-10(11)14-12(15)9-16/h3-6,16-17H,7-9H2,1-2H3.
What are the key properties of 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol?
4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol has a molecular weight of 298.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol is sourced from PubChem (CID 163613068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).