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

C16H22N2OS — CID 79753289

IUPAC1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)CSC2CCCC2)nc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-18-15-9-5-4-8-14(15)17-16(18)10-12(19)11-20-13-6-2-3-7-13/h4-5,8-9,12-13,19H,2-3,6-7,10-11H2,1H3
InChIKeyRANBDHZFHYYETG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.15
Rot. Bonds5

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

1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79753289) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID79753289
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)CSC2CCCC2)nc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-18-15-9-5-4-8-14(15)17-16(18)10-12(19)11-20-13-6-2-3-7-13/h4-5,8-9,12-13,19H,2-3,6-7,10-11H2,1H3
InChIKeyRANBDHZFHYYETG-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 79753289) is 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol is Cn1c(CC(O)CSC2CCCC2)nc2ccccc21.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is RANBDHZFHYYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18-15-9-5-4-8-14(15)17-16(18)10-12(19)11-20-13-6-2-3-7-13/h4-5,8-9,12-13,19H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 290.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79753289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).