1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol

C15H22N2OS — CID 4092386

IUPAC1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
SMILESCCCSc1nc2cc(C)c(C)cc2n1CC(C)O
InChIInChI=1S/C15H22N2OS/c1-5-6-19-15-16-13-7-10(2)11(3)8-14(13)17(15)9-12(4)18/h7-8,12,18H,5-6,9H2,1-4H3
InChIKeyDCHMRKAITIPVLC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.54
Rot. Bonds5

About 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol

1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol (PubChem CID 4092386) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
PubChem CID4092386
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
SMILESCCCSc1nc2cc(C)c(C)cc2n1CC(C)O
InChIInChI=1S/C15H22N2OS/c1-5-6-19-15-16-13-7-10(2)11(3)8-14(13)17(15)9-12(4)18/h7-8,12,18H,5-6,9H2,1-4H3
InChIKeyDCHMRKAITIPVLC-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol (CID 4092386) is 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol is CCCSc1nc2cc(C)c(C)cc2n1CC(C)O.
What is the InChIKey of 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is DCHMRKAITIPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-6-19-15-16-13-7-10(2)11(3)8-14(13)17(15)9-12(4)18/h7-8,12,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol?
1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 278.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 4092386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).