N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C13H20N4S — CID 46994201

IUPACN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccsc1)Cc1ncc[nH]1
InChIInChI=1S/C13H20N4S/c1-16(2)6-7-17(9-12-3-8-18-11-12)10-13-14-4-5-15-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyDAEZNERWRXIPLK-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.04
Rot. Bonds7

About N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46994201) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID46994201
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccsc1)Cc1ncc[nH]1
InChIInChI=1S/C13H20N4S/c1-16(2)6-7-17(9-12-3-8-18-11-12)10-13-14-4-5-15-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyDAEZNERWRXIPLK-UHFFFAOYSA-N
XLogP2.04
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 46994201) is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccsc1)Cc1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is DAEZNERWRXIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-16(2)6-7-17(9-12-3-8-18-11-12)10-13-14-4-5-15-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46994201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).