2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride

C17H19ClN2O2S — CID 18593278

IUPAC2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride
SMILESCOc1ccccc1OCCSc1nc2c(C)cccc2[nH]1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-12-6-5-7-13-16(12)19-17(18-13)22-11-10-21-15-9-4-3-8-14(15)20-2;/h3-9H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyIDMKGCJRUFDSQF-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.47
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride (PubChem CID 18593278) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride
PubChem CID18593278
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride
SMILESCOc1ccccc1OCCSc1nc2c(C)cccc2[nH]1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-12-6-5-7-13-16(12)19-17(18-13)22-11-10-21-15-9-4-3-8-14(15)20-2;/h3-9H,10-11H2,1-2H3,(H,18,19);1H
InChIKeyIDMKGCJRUFDSQF-UHFFFAOYSA-N
XLogP4.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-3H-quinazolin-4-one
CID 135449239
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
CID 708450
2-[2-(2-propan-2-ylphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 45007668
ethyl 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
CID 71296297
2-[(4-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 14578637
2-[2-(2-methoxyphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 3142408
6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 22394114
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[2-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethoxy]phenyl]ethanone
CID 112775404
3-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole
CID 3483037
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride (CID 18593278) is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride is COc1ccccc1OCCSc1nc2c(C)cccc2[nH]1.Cl.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride?
The InChIKey is IDMKGCJRUFDSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S.ClH/c1-12-6-5-7-13-16(12)19-17(18-13)22-11-10-21-15-9-4-3-8-14(15)20-2;/h3-9H,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride?
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 18593278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).