6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole

C17H18N2OS — CID 23739518

IUPAC6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(SCc3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C17H18N2OS/c1-3-20-14-7-8-15-16(10-14)19-17(18-15)21-11-13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeySZBVBUHVHDSARM-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.56
Rot. Bonds5

About 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole

6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 23739518) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID23739518
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(SCc3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C17H18N2OS/c1-3-20-14-7-8-15-16(10-14)19-17(18-15)21-11-13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeySZBVBUHVHDSARM-UHFFFAOYSA-N
XLogP4.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
6-ethoxy-2-[(4-iodophenyl)methylsulfanyl]-1H-benzimidazole
CID 65491332
2-[(3-methylphenyl)methylsulfanyl]-1H-benzo[f]benzimidazole
CID 72704442
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 4666829
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
6-ethoxy-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 139635715
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 62465703
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole (CID 23739518) is 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole is CCOc1ccc2nc(SCc3cccc(C)c3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is SZBVBUHVHDSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-20-14-7-8-15-16(10-14)19-17(18-15)21-11-13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 298.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 23739518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).