5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C13H18ClN3S — CID 91623566

IUPAC5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCCn1ccnc1CN1CCc2sccc2C1.Cl
InChIInChI=1S/C13H17N3S.ClH/c1-2-16-7-5-14-13(16)10-15-6-3-12-11(9-15)4-8-17-12;/h4-5,7-8H,2-3,6,9-10H2,1H3;1H
InChIKeyVAEGDRCWOKJCLY-UHFFFAOYSA-N
MW283.83 g/mol
LogP2.94
Rot. Bonds3

About 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 91623566) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID91623566
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCCn1ccnc1CN1CCc2sccc2C1.Cl
InChIInChI=1S/C13H17N3S.ClH/c1-2-16-7-5-14-13(16)10-15-6-3-12-11(9-15)4-8-17-12;/h4-5,7-8H,2-3,6,9-10H2,1H3;1H
InChIKeyVAEGDRCWOKJCLY-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride with MolForge

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Related Compounds

1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-{2-[(4E)-4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene]ethyl}-1H-imidazole
CID 10489655
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]-1H-imidazole
CID 10847200
1-[1-[4-(4-Methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456224
1-{2-[(4Z)-4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene]ethyl}-1H-imidazole
CID 10513661
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
rac-2-(3-(1-(1H-imidazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884239
1,3-dimethyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906800
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 71929153
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 91623566) is 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is CCn1ccnc1CN1CCc2sccc2C1.Cl.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is VAEGDRCWOKJCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S.ClH/c1-2-16-7-5-14-13(16)10-15-6-3-12-11(9-15)4-8-17-12;/h4-5,7-8H,2-3,6,9-10H2,1H3;1H.
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 283.83 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 91623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).