1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole

C22H22N2OS — CID 4230135

IUPAC1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1ccccc1OCCCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C22H22N2OS/c1-17-9-2-5-12-20(17)25-15-7-6-14-24-19-11-4-3-10-18(19)23-22(24)21-13-8-16-26-21/h2-5,8-13,16H,6-7,14-15H2,1H3
InChIKeyFNWKGMANMFVXSL-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.93
Rot. Bonds7

About 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole

1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 4230135) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
PubChem CID4230135
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1ccccc1OCCCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C22H22N2OS/c1-17-9-2-5-12-20(17)25-15-7-6-14-24-19-11-4-3-10-18(19)23-22(24)21-13-8-16-26-21/h2-5,8-13,16H,6-7,14-15H2,1H3
InChIKeyFNWKGMANMFVXSL-UHFFFAOYSA-N
XLogP5.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[4-(2-methylphenoxy)butyl]-2-pentan-3-ylbenzimidazole
CID 18879067
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268
1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole (CID 4230135) is 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole is Cc1ccccc1OCCCCn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is FNWKGMANMFVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-17-9-2-5-12-20(17)25-15-7-6-14-24-19-11-4-3-10-18(19)23-22(24)21-13-8-16-26-21/h2-5,8-13,16H,6-7,14-15H2,1H3.
What are the key properties of 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole?
1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 362.50 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 4230135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).