1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole

C20H18N2OS — CID 17000282

IUPAC1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1cccc(OCCn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2OS/c1-15-6-4-7-16(14-15)23-12-11-22-18-9-3-2-8-17(18)21-20(22)19-10-5-13-24-19/h2-10,13-14H,11-12H2,1H3
InChIKeyPAGPFMHGBHOHNX-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.15
Rot. Bonds5

About 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole

1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 17000282) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
PubChem CID17000282
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1cccc(OCCn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2OS/c1-15-6-4-7-16(14-15)23-12-11-22-18-9-3-2-8-17(18)21-20(22)19-10-5-13-24-19/h2-10,13-14H,11-12H2,1H3
InChIKeyPAGPFMHGBHOHNX-UHFFFAOYSA-N
XLogP5.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
CID 4230135
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994838
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole (CID 17000282) is 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole is Cc1cccc(OCCn2c(-c3cccs3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is PAGPFMHGBHOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-15-6-4-7-16(14-15)23-12-11-22-18-9-3-2-8-17(18)21-20(22)19-10-5-13-24-19/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole?
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 334.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 17000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).