(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol

C16H20N4O3S — CID 97243145

IUPAC(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@@H](O)Cn3ccnc3S(C)(=O)=O)c2cc1C
InChIInChI=1S/C16H20N4O3S/c1-11-6-14-15(7-12(11)2)20(10-18-14)9-13(21)8-19-5-4-17-16(19)24(3,22)23/h4-7,10,13,21H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyLICHGJAGHLYCIH-ZDUSSCGKSA-N
MW348.43 g/mol
LogP1.31
Rot. Bonds5

About (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol

(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol (PubChem CID 97243145) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
PubChem CID97243145
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@@H](O)Cn3ccnc3S(C)(=O)=O)c2cc1C
InChIInChI=1S/C16H20N4O3S/c1-11-6-14-15(7-12(11)2)20(10-18-14)9-13(21)8-19-5-4-17-16(19)24(3,22)23/h4-7,10,13,21H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyLICHGJAGHLYCIH-ZDUSSCGKSA-N
XLogP1.31
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidine-2,5-dione
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1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 75389459
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CID 97243193
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
CID 51704130
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
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4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol (CID 97243145) is (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol is Cc1cc2ncn(C[C@@H](O)Cn3ccnc3S(C)(=O)=O)c2cc1C.
What is the InChIKey of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol?
The InChIKey is LICHGJAGHLYCIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-6-14-15(7-12(11)2)20(10-18-14)9-13(21)8-19-5-4-17-16(19)24(3,22)23/h4-7,10,13,21H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol?
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol has a molecular weight of 348.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 97243145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).