5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

C14H21N3S — CID 61335332

IUPAC5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCc1ccc(-c2cnc(CCCCCN)[nH]2)s1
InChIInChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyLORDMHKCHHZQNL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds7

About 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 61335332) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID61335332
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCc1ccc(-c2cnc(CCCCCN)[nH]2)s1
InChIInChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyLORDMHKCHHZQNL-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
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

5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961016
4-[(thiophen-2-yl)methyl]-1H-imidazole hydrochloride
CID 49861211
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
2-{[2-(1H-Imidazol-4-yl)ethyl]thio}pyridine
CID 10398042
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
CID 14660411
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
CID 19961030
2-ethyl-4-(1H-imidazol-2-yl)thieno[3,2-d]pyrimidine
CID 44449706

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (CID 61335332) is 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is CCc1ccc(-c2cnc(CCCCCN)[nH]2)s1.
What is the InChIKey of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is LORDMHKCHHZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17).
What are the key properties of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 61335332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).