1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol

C12H16N2OS — CID 79754354

IUPAC1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C12H16N2OS/c1-14-11-6-4-3-5-10(11)13-12(14)7-9(15)8-16-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyQQNKVJWEVQTOIH-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.84
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol (PubChem CID 79754354) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
PubChem CID79754354
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C12H16N2OS/c1-14-11-6-4-3-5-10(11)13-12(14)7-9(15)8-16-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyQQNKVJWEVQTOIH-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol (CID 79754354) is 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol is CSCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol?
The InChIKey is QQNKVJWEVQTOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-11-6-4-3-5-10(11)13-12(14)7-9(15)8-16-2/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 79754354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).