1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol

C15H22N2OS — CID 79754356

IUPAC1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCC(C)CSCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H22N2OS/c1-11(2)9-19-10-12(18)8-15-16-13-6-4-5-7-14(13)17(15)3/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeySXJPQTYVXQNYSA-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.87
Rot. Bonds6

About 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol (PubChem CID 79754356) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
PubChem CID79754356
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCC(C)CSCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H22N2OS/c1-11(2)9-19-10-12(18)8-15-16-13-6-4-5-7-14(13)17(15)3/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeySXJPQTYVXQNYSA-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol (CID 79754356) is 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol is CC(C)CSCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The InChIKey is SXJPQTYVXQNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)9-19-10-12(18)8-15-16-13-6-4-5-7-14(13)17(15)3/h4-7,11-12,18H,8-10H2,1-3H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol has a molecular weight of 278.42 g/mol, XLogP of 2.87, 6 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-(2-methylpropylsulfanyl)propan-2-ol is sourced from PubChem (CID 79754356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).