N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine

C11H15N3S — CID 115897926

IUPACN-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCc1ncc[nH]1
InChIInChI=1S/C11H15N3S/c1-9-3-7-15-10(9)2-4-12-8-11-13-5-6-14-11/h3,5-7,12H,2,4,8H2,1H3,(H,13,14)
InChIKeyKFVHLZOUWXBVAA-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.11
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine

N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115897926) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID115897926
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCc1ncc[nH]1
InChIInChI=1S/C11H15N3S/c1-9-3-7-15-10(9)2-4-12-8-11-13-5-6-14-11/h3,5-7,12H,2,4,8H2,1H3,(H,13,14)
InChIKeyKFVHLZOUWXBVAA-UHFFFAOYSA-N
XLogP2.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119111772
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829341
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 61098789
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744500
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886
2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 66527309
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
N-(1H-imidazol-2-ylmethyl)-2-(4-nitrophenyl)ethanamine
CID 54976082

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine (CID 115897926) is N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1CCNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is KFVHLZOUWXBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-3-7-15-10(9)2-4-12-8-11-13-5-6-14-11/h3,5-7,12H,2,4,8H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).