2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole

C20H19ClN2O2S — CID 10126516

IUPAC2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCOCCOc1c(C2=NCCN2)cc2cc(-c3ccsc3)ccc2c1Cl
InChIInChI=1S/C20H19ClN2O2S/c1-24-7-8-25-19-17(20-22-5-6-23-20)11-15-10-13(14-4-9-26-12-14)2-3-16(15)18(19)21/h2-4,9-12H,5-8H2,1H3,(H,22,23)
InChIKeyGGPHBJZRLRLIEM-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.60
Rot. Bonds6

About 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole

2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10126516) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID10126516
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCOCCOc1c(C2=NCCN2)cc2cc(-c3ccsc3)ccc2c1Cl
InChIInChI=1S/C20H19ClN2O2S/c1-24-7-8-25-19-17(20-22-5-6-23-20)11-15-10-13(14-4-9-26-12-14)2-3-16(15)18(19)21/h2-4,9-12H,5-8H2,1H3,(H,22,23)
InChIKeyGGPHBJZRLRLIEM-UHFFFAOYSA-N
XLogP4.60
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole (CID 10126516) is 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole is COCCOc1c(C2=NCCN2)cc2cc(-c3ccsc3)ccc2c1Cl.
What is the InChIKey of 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is GGPHBJZRLRLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-24-7-8-25-19-17(20-22-5-6-23-20)11-15-10-13(14-4-9-26-12-14)2-3-16(15)18(19)21/h2-4,9-12H,5-8H2,1H3,(H,22,23).
What are the key properties of 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole?
2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 386.90 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10126516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).