N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine

C15H15N3S — CID 116877405

IUPACN-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3cnc(CNC4CC4)[nH]3)csc2c1
InChIInChI=1S/C15H15N3S/c1-2-4-14-11(3-1)12(9-19-14)13-7-17-15(18-13)8-16-10-5-6-10/h1-4,7,9-10,16H,5-6,8H2,(H,17,18)
InChIKeyGXBLAQNBNMWUPU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.54
Rot. Bonds4

About N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine

N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 116877405) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
PubChem CID116877405
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3cnc(CNC4CC4)[nH]3)csc2c1
InChIInChI=1S/C15H15N3S/c1-2-4-14-11(3-1)12(9-19-14)13-7-17-15(18-13)8-16-10-5-6-10/h1-4,7,9-10,16H,5-6,8H2,(H,17,18)
InChIKeyGXBLAQNBNMWUPU-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine 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

N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 116827364
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251
N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288050
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 62700187
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine (CID 116877405) is N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine is c1ccc2c(-c3cnc(CNC4CC4)[nH]3)csc2c1.
What is the InChIKey of N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GXBLAQNBNMWUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-4-14-11(3-1)12(9-19-14)13-7-17-15(18-13)8-16-10-5-6-10/h1-4,7,9-10,16H,5-6,8H2,(H,17,18).
What are the key properties of N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 269.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116877405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).