3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide

C14H18N2O2S — CID 116626981

IUPAC3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
SMILESCCCc1nc2ccccc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O2S/c1-2-5-14-15-12-6-3-4-7-13(12)16(14)11-8-9-19(17,18)10-11/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyGBVDKFWFCJRQAK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide

3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide (PubChem CID 116626981) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
PubChem CID116626981
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
SMILESCCCc1nc2ccccc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O2S/c1-2-5-14-15-12-6-3-4-7-13(12)16(14)11-8-9-19(17,18)10-11/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyGBVDKFWFCJRQAK-UHFFFAOYSA-N
XLogP2.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,1-dioxothiolan-3-yl)benzimidazol-2-yl]ethanamine
CID 63636344
2-[1-(1,1-dioxothiolan-3-yl)benzimidazol-2-yl]ethanethioamide
CID 63636877
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
3-[2-(1-chloroethyl)benzimidazol-1-yl]thiolane 1,1-dioxide
CID 43666253
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
2-(chloromethyl)-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
CID 61064926
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
CID 116626986
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide (CID 116626981) is 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide is CCCc1nc2ccccc2n1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is GBVDKFWFCJRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-5-14-15-12-6-3-4-7-13(12)16(14)11-8-9-19(17,18)10-11/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide?
3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 278.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 116626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).