[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine

C10H13N3S — CID 82470461

IUPAC[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H13N3S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6,11H2
InChIKeyWDUKBMICROVFOE-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.65
Rot. Bonds4

About [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine

[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine (PubChem CID 82470461) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
PubChem CID82470461
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H13N3S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6,11H2
InChIKeyWDUKBMICROVFOE-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
CID 82476422
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
CID 106716533
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
(1-butylimidazol-4-yl)methanamine
CID 82467842
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanamine
CID 106718131
1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359685
1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522

Frequently Asked Questions

What is the IUPAC name of [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine (CID 82470461) is [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine is NCc1cn(CCc2cccs2)cn1.
What is the InChIKey of [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine?
The InChIKey is WDUKBMICROVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6,11H2.
What are the key properties of [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine?
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine has a molecular weight of 207.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82470461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).