5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C14H15N3S — CID 79498213

IUPAC5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1csc2ccccc12
InChIInChI=1S/C14H15N3S/c1-2-7-17-12(8-16-14(17)15)11-9-18-13-6-4-3-5-10(11)13/h2-6,9,12H,1,7-8H2,(H2,15,16)
InChIKeyVXVKUBFDWYCWOE-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.76
Rot. Bonds3

About 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498213) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79498213
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1csc2ccccc12
InChIInChI=1S/C14H15N3S/c1-2-7-17-12(8-16-14(17)15)11-9-18-13-6-4-3-5-10(11)13/h2-6,9,12H,1,7-8H2,(H2,15,16)
InChIKeyVXVKUBFDWYCWOE-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-Benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 72737028
6-(1-Benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 72737032
3-(4-Fluoro-1-benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9817477
3-(5-Fluoro-1-benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9882469
6-(1-Benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 45257242
6-(1-Benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 45257244
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
3-(1-Benzothiophen-3-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9795895
2-Methyl-3-(5-methyl-1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9838841
3-(1-Benzothiophen-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9860306
3-(1-Benzothiophen-3-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9861152
2-Methyl-3-(5-methylsulfanyl-1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9883499

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79498213) is 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is VXVKUBFDWYCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-7-17-12(8-16-14(17)15)11-9-18-13-6-4-3-5-10(11)13/h2-6,9,12H,1,7-8H2,(H2,15,16).
What are the key properties of 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).