N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

C13H13N3S2 — CID 64546806

IUPACN-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESc1csc(-c2csc(CNCc3ncc[nH]3)c2)c1
InChIInChI=1S/C13H13N3S2/c1-2-12(17-5-1)10-6-11(18-9-10)7-14-8-13-15-3-4-16-13/h1-6,9,14H,7-8H2,(H,15,16)
InChIKeyAASIJOFBEPIWMV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.49
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (PubChem CID 64546806) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
PubChem CID64546806
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESc1csc(-c2csc(CNCc3ncc[nH]3)c2)c1
InChIInChI=1S/C13H13N3S2/c1-2-12(17-5-1)10-6-11(18-9-10)7-14-8-13-15-3-4-16-13/h1-6,9,14H,7-8H2,(H,15,16)
InChIKeyAASIJOFBEPIWMV-UHFFFAOYSA-N
XLogP3.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (CID 64546806) is N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is c1csc(-c2csc(CNCc3ncc[nH]3)c2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The InChIKey is AASIJOFBEPIWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-2-12(17-5-1)10-6-11(18-9-10)7-14-8-13-15-3-4-16-13/h1-6,9,14H,7-8H2,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 64546806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).