hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride

C13H15ClN2S — CID 74764005

IUPAChydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride
SMILESCc1sc2ccccc2c1CC1=NCCN1.[Cl-].[H+]
InChIInChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H
InChIKeyFPTJVMYMFXHIFO-UHFFFAOYSA-N
MW266.80 g/mol
LogP-0.13
Rot. Bonds2

About hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride

hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride (PubChem CID 74764005) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride.

Molecular Properties

Compound Namehydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride
PubChem CID74764005
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Namehydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride
SMILESCc1sc2ccccc2c1CC1=NCCN1.[Cl-].[H+]
InChIInChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H
InChIKeyFPTJVMYMFXHIFO-UHFFFAOYSA-N
XLogP-0.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride?
The IUPAC name of hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride (CID 74764005) is hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride.
What is the SMILES notation for hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride?
The canonical SMILES for hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride is Cc1sc2ccccc2c1CC1=NCCN1.[Cl-].[H+].
What is the InChIKey of hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride?
The InChIKey is FPTJVMYMFXHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H.
What are the key properties of hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride?
hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride has a molecular weight of 266.80 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride is sourced from PubChem (CID 74764005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).