3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol

C15H22N2O2S — CID 4194264

IUPAC3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol
SMILESCCCSc1nc2cc(C)c(C)cc2n1CC(O)CO
InChIInChI=1S/C15H22N2O2S/c1-4-5-20-15-16-13-6-10(2)11(3)7-14(13)17(15)8-12(19)9-18/h6-7,12,18-19H,4-5,8-9H2,1-3H3
InChIKeyDSFZODDJZGXQPJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.51
Rot. Bonds6

About 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol

3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol (PubChem CID 4194264) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol
PubChem CID4194264
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol
SMILESCCCSc1nc2cc(C)c(C)cc2n1CC(O)CO
InChIInChI=1S/C15H22N2O2S/c1-4-5-20-15-16-13-6-10(2)11(3)7-14(13)17(15)8-12(19)9-18/h6-7,12,18-19H,4-5,8-9H2,1-3H3
InChIKeyDSFZODDJZGXQPJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Dihydro-2H-(1,3)thiazino(3,2-a)benzimidazol-3-ol
CID 380631
5,6-Dimethyl-2-(2-morpholin-4-yl-ethylsulfanyl)-1H-benzoimidazole
CID 747184
1-(2-Methoxyethyl)-5,6-dimethylbenzimidazole
CID 2130269
2-(2-Cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880
1-(cyclohexyloxy)-3-(5,6-dimethyl-1H-benzimidazol-1-yl)propan-2-ol
CID 2876957
1-(5,6-Dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 4092386
3-(2-Ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol
CID 4096565
2-[2-[(2-Methylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70682001
3-[3-(3-cyclohexen-1-ylmethoxy)-2-hydroxypropyl]-1,5,6-trimethyl-1H-benzimidazol-3-ium iodide
CID 2885073
AG-690/11303068
CID 2772462
Benzimidazole, 2-methylthio-1,5,6-trimethyl-, hydrochloride
CID 3057297
2-{[1-butyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
CID 7063825

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol (CID 4194264) is 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol is CCCSc1nc2cc(C)c(C)cc2n1CC(O)CO.
What is the InChIKey of 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol?
The InChIKey is DSFZODDJZGXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-5-20-15-16-13-6-10(2)11(3)7-14(13)17(15)8-12(19)9-18/h6-7,12,18-19H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol?
3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol has a molecular weight of 294.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 4194264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).