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

C11H9ClN2S — CID 18476251

IUPAC2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESClc1c(C2=NCCN2)sc2ccccc12
InChIInChI=1S/C11H9ClN2S/c12-9-7-3-1-2-4-8(7)15-10(9)11-13-5-6-14-11/h1-4H,5-6H2,(H,13,14)
InChIKeyDMXCKGDCZRTXBL-UHFFFAOYSA-N
MW236.73 g/mol
LogP2.90
Rot. Bonds1

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

2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 18476251) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID18476251
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESClc1c(C2=NCCN2)sc2ccccc12
InChIInChI=1S/C11H9ClN2S/c12-9-7-3-1-2-4-8(7)15-10(9)11-13-5-6-14-11/h1-4H,5-6H2,(H,13,14)
InChIKeyDMXCKGDCZRTXBL-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole (CID 18476251) is 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole is Clc1c(C2=NCCN2)sc2ccccc12.
What is the InChIKey of 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is DMXCKGDCZRTXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-9-7-3-1-2-4-8(7)15-10(9)11-13-5-6-14-11/h1-4H,5-6H2,(H,13,14).
What are the key properties of 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole?
2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 236.73 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 18476251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).