5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole

C15H21N3S — CID 747185

IUPAC5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole
SMILESCc1cc2nc(SCCN3CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3S/c1-11-9-13-14(10-12(11)2)17-15(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyYMAARERCUMHOKE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.37
Rot. Bonds4

About 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole

5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole (PubChem CID 747185) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole
PubChem CID747185
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole
SMILESCc1cc2nc(SCCN3CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3S/c1-11-9-13-14(10-12(11)2)17-15(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyYMAARERCUMHOKE-UHFFFAOYSA-N
XLogP3.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethylbenzimidazole
CID 675
5,6-Dimethylbenzimidazol-2-ylamine
CID 93125
CID 321677
CID 321677
2-Benzylthiobenzimidazole
CID 416770
5,6-Dimethyl-2-trifluoromethylbenzimidazole
CID 15725
2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
CID 119157
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
CID 672548
2-(isopentylthio)-1H-benzo[d]imidazole
CID 713234
Leminoprazole
CID 65881
5,6-Dimethyl-1H-benzimidazole-2-methanethiol
CID 52210
2-(1H-Benzimidazol-2-ylthio)-N,N-diethylethanamine
CID 28909

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole (CID 747185) is 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole is Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole?
The InChIKey is YMAARERCUMHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-9-13-14(10-12(11)2)17-15(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole?
5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole has a molecular weight of 275.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 747185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).