2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole

C15H18N2OS — CID 10149352

IUPAC2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1c(C2=NCCN2)sc2ccccc12
InChIInChI=1S/C15H18N2OS/c1-2-3-10-18-13-11-6-4-5-7-12(11)19-14(13)15-16-8-9-17-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyNTKKVDOXEQPHBN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole

2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10149352) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID10149352
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1c(C2=NCCN2)sc2ccccc12
InChIInChI=1S/C15H18N2OS/c1-2-3-10-18-13-11-6-4-5-7-12(11)19-14(13)15-16-8-9-17-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyNTKKVDOXEQPHBN-UHFFFAOYSA-N
XLogP3.43
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.43
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-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-(3-dibutoxyphosphoryl-1-benzothiophen-2-yl)pyridine
CID 102435794
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
3-butoxy-1,2-benzothiazole
CID 591887
2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 11574302
2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 57096784
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-[3-butoxy-4-chloro-7-(3-nitrophenyl)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 22083517
3-(dodecoxymethoxy)-2-[[3-(dodecoxymethoxy)-1-benzothiophen-2-yl]methyl]-1-benzothiophene
CID 59946730
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole (CID 10149352) is 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole is CCCCOc1c(C2=NCCN2)sc2ccccc12.
What is the InChIKey of 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is NTKKVDOXEQPHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-3-10-18-13-11-6-4-5-7-12(11)19-14(13)15-16-8-9-17-15/h4-7H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 274.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10149352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).