2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline

C17H19N3OS — CID 67904088

IUPAC2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline
SMILESCC(c1ccccc1N(C)C)S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3OS/c1-12(13-8-4-7-11-16(13)20(2)3)22(21)17-18-14-9-5-6-10-15(14)19-17/h4-12H,1-3H3,(H,18,19)
InChIKeyIYKHSDLFNKMVMG-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.50
Rot. Bonds4

About 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline

2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline (PubChem CID 67904088) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline
PubChem CID67904088
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline
SMILESCC(c1ccccc1N(C)C)S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3OS/c1-12(13-8-4-7-11-16(13)20(2)3)22(21)17-18-14-9-5-6-10-15(14)19-17/h4-12H,1-3H3,(H,18,19)
InChIKeyIYKHSDLFNKMVMG-UHFFFAOYSA-N
XLogP3.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-6-methyl-1,2,3,4-tetrahydroquinoline
CID 54463897
1H-benzimidazole-2-sulfinate
CID 23000784
1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol
CID 173250102
1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
CID 90177935
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
6-methyl-2-[(R)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507869
6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507868
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
6-ethyl-2-(1-pyridin-2-ylethylsulfinyl)-1H-benzimidazole
CID 13018830
2-(dibromomethyl)-N,N-dimethylaniline
CID 56618314
2-propan-2-yl-1H-benzimidazole
CID 22121

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline (CID 67904088) is 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline is CC(c1ccccc1N(C)C)S(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline?
The InChIKey is IYKHSDLFNKMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12(13-8-4-7-11-16(13)20(2)3)22(21)17-18-14-9-5-6-10-15(14)19-17/h4-12H,1-3H3,(H,18,19).
What are the key properties of 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline?
2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline has a molecular weight of 313.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 67904088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).