2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline

C19H23N3O3S — CID 14578613

IUPAC2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline
SMILESCOc1cc2nc(S(=O)Cc3cc(C)ccc3N(C)C)[nH]c2cc1OC
InChIInChI=1S/C19H23N3O3S/c1-12-6-7-16(22(2)3)13(8-12)11-26(23)19-20-14-9-17(24-4)18(25-5)10-15(14)21-19/h6-10H,11H2,1-5H3,(H,20,21)
InChIKeyROXLFRLDVHMRGM-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.26
Rot. Bonds6

About 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline

2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline (PubChem CID 14578613) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline.

Molecular Properties

Compound Name2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline
PubChem CID14578613
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline
SMILESCOc1cc2nc(S(=O)Cc3cc(C)ccc3N(C)C)[nH]c2cc1OC
InChIInChI=1S/C19H23N3O3S/c1-12-6-7-16(22(2)3)13(8-12)11-26(23)19-20-14-9-17(24-4)18(25-5)10-15(14)21-19/h6-10H,11H2,1-5H3,(H,20,21)
InChIKeyROXLFRLDVHMRGM-UHFFFAOYSA-N
XLogP3.26
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-butoxy-6-ethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 14578618
[2-[[2-(dimethylamino)-5-methoxyphenyl]methylsulfinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 57107128
2-(6,7-dihydro-1H-benzimidazol-2-ylsulfinylmethyl)-N,N,4-trimethylaniline
CID 70397298
2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,3,6-tetramethylaniline
CID 14578648
2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 19820955
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
CID 14306142
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinyl]aniline
CID 19866674
2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 71232335
2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 163684206
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700
5,6-bis(difluoromethoxy)-2-[(5-methoxy-3-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 54554112

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline?
The IUPAC name of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline (CID 14578613) is 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline.
What is the SMILES notation for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline?
The canonical SMILES for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline is COc1cc2nc(S(=O)Cc3cc(C)ccc3N(C)C)[nH]c2cc1OC.
What is the InChIKey of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline?
The InChIKey is ROXLFRLDVHMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-6-7-16(22(2)3)13(8-12)11-26(23)19-20-14-9-17(24-4)18(25-5)10-15(14)21-19/h6-10H,11H2,1-5H3,(H,20,21).
What are the key properties of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline?
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline has a molecular weight of 373.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline is sourced from PubChem (CID 14578613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).